2-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-4-amino-1-[[(2s)-1-amino-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]propanedioic acid (CHEM275995)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-26 20:06:50 UTC | ||||||||
| Update Date | 2026-08-26 20:06:50 UTC | ||||||||
| Accession Number | CHEM275995 | ||||||||
| Identification | |||||||||
| Common Name | 2-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-4-amino-1-[[(2s)-1-amino-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]propanedioic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM275995: 2-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-4-amino-1-[[(2s)-1-amino-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]propanedioic acid
| ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C110H175N31O45S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 2682.208 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-4-amino-1-[[(2s)-1-amino-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]propanedioic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CC(C(=O)NC(CC(C(=O)O)C(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C(=O)O)C(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)N)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN | ||||||||
| InChI Identifier | InChI=1S/C110H175N31O45S/c1-47(2)37-66(94(163)128-61(20-16-35-121-110(119)120)87(156)135-69(40-54(102(171)172)103(173)174)92(161)123-51(8)83(152)125-64(27-30-80(149)150)91(160)141-81(49(5)6)101(170)131-60(19-12-15-34-113)85(154)126-59(18-11-14-33-112)86(155)139-73(44-76(116)144)93(162)122-50(7)82(118)151)133-100(169)74(45-77(117)145)140-99(168)72(43-57(108(183)184)109(185)186)137-95(164)67(38-48(3)4)132-90(159)65(31-36-187-9)130-84(153)58(17-10-13-32-111)127-89(158)63(25-28-75(115)143)129-96(165)68(39-52-21-23-53(142)24-22-52)134-97(166)71(42-56(106(179)180)107(181)182)138-98(167)70(41-55(104(175)176)105(177)178)136-88(157)62(26-29-79(147)148)124-78(146)46-114/h21-24,47-51,54-74,81,142H,10-20,25-46,111-114H2,1-9H3,(H2,115,143)(H2,116,144)(H2,117,145)(H2,118,151)(H,122,162)(H,123,161)(H,124,146)(H,125,152)(H,126,154)(H,127,158)(H,128,163)(H,129,165)(H,130,153)(H,131,170)(H,132,159)(H,133,169)(H,134,166)(H,135,156)(H,136,157)(H,137,164)(H,138,167)(H,139,155)(H,140,168)(H,141,160)(H,147,148)(H,149,150)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H4,119,120,121)/t50-,51-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,81-/m0/s1 | ||||||||
| InChI Key | UFVIUSQQHPISRQ-HNJXWIPGSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
