1-[(1s)-1-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(2s)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CHEM354798)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 06:45:46 UTC | ||||||||
| Update Date | 2026-09-01 06:45:46 UTC | ||||||||
| Accession Number | CHEM354798 | ||||||||
| Identification | |||||||||
| Common Name | 1-[(1s)-1-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(2s)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-[(1s)-1-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(2s)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has the chemical formula C51H76N6O9. With an average molecular weight of 917.20 g/mol, 1-[(1s)-1-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(2s)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM354798: 1-[(1s)-1-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(2s)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C51H76N6O9 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 916.567 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 1-[(1s)-1-[[(2s)-2-[[(2s)-2-[[(2s)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(2s)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C(C(=O)NC(C(=O)NC(CC(=O)N1CCCC1)C(=O)NC(C(=O)NC(CC(C)(C)C)CO)C2(CCCC2)C(=O)O)C(C)(C)C)N(C)C(=O)C(CC3=CC=CC=C3)CC4=CC=CC=C4 | ||||||||
| InChI Identifier | InChI=1S/C51H76N6O9/c1-33(2)40(56(9)47(64)36(28-34-20-12-10-13-21-34)29-35-22-14-11-15-23-35)44(61)54-41(50(6,7)8)45(62)53-38(30-39(59)57-26-18-19-27-57)43(60)55-42(51(48(65)66)24-16-17-25-51)46(63)52-37(32-58)31-49(3,4)5/h10-15,20-23,33,36-38,40-42,58H,16-19,24-32H2,1-9H3,(H,52,63)(H,53,62)(H,54,61)(H,55,60)(H,65,66)/t37-,38-,40-,41+,42+/m0/s1 | ||||||||
| InChI Key | ZEZGINAYPYMJJU-HOMVEOSBSA-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 | ||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
