(2r)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-amino-7-oxo-7-pyridin-4-ylheptanoyl]amino]-4-methylpentanoyl]amino]-6-amino-7-methyloctanoyl]-n-[(2s)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CHEM358515)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 11:58:30 UTC | ||||||||
| Update Date | 2026-09-01 11:58:30 UTC | ||||||||
| Accession Number | CHEM358515 | ||||||||
| Identification | |||||||||
| Common Name | (2r)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-amino-7-oxo-7-pyridin-4-ylheptanoyl]amino]-4-methylpentanoyl]amino]-6-amino-7-methyloctanoyl]-n-[(2s)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358515: (2r)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-amino-7-oxo-7-pyridin-4-ylheptanoyl]amino]-4-methylpentanoyl]amino]-6-amino-7-methyloctanoyl]-n-[(2s)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C80H104ClN15O14 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1533.758 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)CC(C(=O)NC(CCCC(C(C)C)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCC(C(=O)C2=CC=NC=C2)N)NC(=O)C(CC3=CC=C(C=C3)O)N(C)C(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C | ||||||||
| InChI Identifier | InChI=1S/C80H104ClN15O14/c1-46(2)38-63(73(103)90-62(20-10-17-59(82)47(3)4)80(110)96-37-13-21-68(96)77(107)87-48(5)71(84)101)91-72(102)61(19-11-18-60(83)70(100)55-32-35-85-36-33-55)89-78(108)69(43-51-25-30-58(99)31-26-51)95(7)79(109)67(45-97)94-76(106)66(42-53-14-12-34-86-44-53)93-75(105)65(40-50-23-28-57(81)29-24-50)92-74(104)64(88-49(6)98)41-52-22-27-54-15-8-9-16-56(54)39-52/h8-9,12,14-16,22-36,39,44,46-48,59-69,97,99H,10-11,13,17-21,37-38,40-43,45,82-83H2,1-7H3,(H2,84,101)(H,87,107)(H,88,98)(H,89,108)(H,90,103)(H,91,102)(H,92,104)(H,93,105)(H,94,106)/t48-,59?,60?,61-,62-,63-,64-,65-,66-,67-,68+,69-/m0/s1 | ||||||||
| InChI Key | WGWPBHBZVYAVTQ-HQDLIPOVSA-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 | |||||||||
| 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 | ||||||||
