(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-3-carboxy-2-[[(2s)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]hexanoic acid (CHEM216925)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-22 15:06:12 UTC | ||||||||
| Update Date | 2026-08-22 15:06:12 UTC | ||||||||
| Accession Number | CHEM216925 | ||||||||
| Identification | |||||||||
| Common Name | (2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-3-carboxy-2-[[(2s)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]hexanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM216925: (2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s)-2-[[(2s)-3-carboxy-2-[[(2s)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]hexanoic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C48H70N10O12 | ||||||||
| Average Molecular Mass | 979.100 g/mol | ||||||||
| Monoisotopic Mass | 978.517 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]hexanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C48H70N10O12/c1-26(2)23-35(53-38(59)24-31-17-19-32(20-18-31)52-48(70)56-33-14-9-8-13-28(33)5)43(64)55-36(25-39(60)61)44(65)57-40(27(3)4)46(67)58-22-12-16-37(58)45(66)51-29(6)41(62)50-30(7)42(63)54-34(47(68)69)15-10-11-21-49/h8-9,13-14,17-20,26-27,29-30,34-37,40H,10-12,15-16,21-25,49H2,1-7H3,(H,50,62)(H,51,66)(H,53,59)(H,54,63)(H,55,64)(H,57,65)(H,60,61)(H,68,69)(H2,52,56,70)/t29-,30-,34-,35-,36-,37-,40-/m0/s1 | ||||||||
| InChI Key | FQYZPSNPTJYQKB-CGTMUHGOSA-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
