2-[[(4s)-1-[2-[2-[[2-[[2-[[(2r)-2-[[2-[2-[2-[(2-acetamido-3-phenylpropanoyl)-methylamino]propanoyl-methylamino]propanoyl-methylamino]acetyl]amino]-2-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]-methylamino]propanoyl-methylamino]acetyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-n-[(2r)-1-[(4s)-4-hydroxy-2-[[1-[2-[[(2s)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide (CHEM358518)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 11:58:55 UTC | ||||||||
| Update Date | 2026-09-01 11:58:55 UTC | ||||||||
| Accession Number | CHEM358518 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[(4s)-1-[2-[2-[[2-[[2-[[(2r)-2-[[2-[2-[2-[(2-acetamido-3-phenylpropanoyl)-methylamino]propanoyl-methylamino]propanoyl-methylamino]acetyl]amino]-2-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]-methylamino]propanoyl-methylamino]acetyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-n-[(2r)-1-[(4s)-4-hydroxy-2-[[1-[2-[[(2s)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358518: 2-[[(4s)-1-[2-[2-[[2-[[2-[[(2r)-2-[[2-[2-[2-[(2-acetamido-3-phenylpropanoyl)-methylamino]propanoyl-methylamino]propanoyl-methylamino]acetyl]amino]-2-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]-methylamino]propanoyl-methylamino]acetyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-n-[(2r)-1-[(4s)-4-hydroxy-2-[[1-[2-[[(2s)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C80H123N17O20 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1641.913 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC(C)(C(=O)NCC(=O)NC(CC(C)C)C(=O)N(C)C(C)C(=O)N(C)CC(=O)N1CC(CC1C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)N2CC(CC2C(=O)N(C)C(C)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)CO)O)O)NC(=O)CN(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(CC5=CC=CC=C5)NC(=O)C | ||||||||
| InChI Identifier | InChI=1S/C80H123N17O20/c1-18-79(10,87-65(104)43-89(12)70(109)47(5)91(14)72(111)49(7)93(16)75(114)59(83-51(9)99)37-53-29-24-21-25-30-53)77(116)82-40-64(103)85-58(35-46(3)4)74(113)92(15)48(6)71(110)90(13)44-66(105)96-41-55(100)38-61(96)69(108)86-57(32-33-63(81)102)67(106)88-80(11,19-2)78(117)97-42-56(101)39-62(97)76(115)94(17)50(8)73(112)95-34-26-31-60(95)68(107)84-54(45-98)36-52-27-22-20-23-28-52/h20-25,27-30,46-50,54-62,98,100-101H,18-19,26,31-45H2,1-17H3,(H2,81,102)(H,82,116)(H,83,99)(H,84,107)(H,85,103)(H,86,108)(H,87,104)(H,88,106)/t47?,48?,49?,50?,54-,55-,56-,57?,58?,59?,60?,61?,62?,79+,80+/m0/s1 | ||||||||
| InChI Key | FCYOXUYVFGLPLR-FZVORYHSSA-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 | ||||||||
