2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid (CHEM355401)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 07:39:11 UTC | ||||||||
| Update Date | 2026-09-01 07:39:11 UTC | ||||||||
| Accession Number | CHEM355401 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM355401: 2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C59H83N17O14 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1253.631 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2s)-3-hydroxy-2-[[(2s)-2-[[(2s)-3-(1h-imidazol-5-yl)-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6 | ||||||||
| InChI Identifier | InChI=1S/C59H83N17O14/c1-32(2)23-42(52(84)70-41(12-7-21-64-59(61)62)58(90)76-22-8-13-47(76)57(89)66-29-49(80)81)71-50(82)39(11-5-6-20-60)69-53(85)43(24-33-14-16-36(78)17-15-33)72-56(88)46(30-77)75-54(86)44(25-34-27-65-38-10-4-3-9-37(34)38)73-55(87)45(26-35-28-63-31-67-35)74-51(83)40-18-19-48(79)68-40/h3-4,9-10,14-17,27-28,31-32,39-47,65,77-78H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H,63,67)(H,66,89)(H,68,79)(H,69,85)(H,70,84)(H,71,82)(H,72,88)(H,73,87)(H,74,83)(H,75,86)(H,80,81)(H4,61,62,64)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1 | ||||||||
| InChI Key | JLPGUTVGFAQPNX-OBCLEYQXSA-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 |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
