Chemical Component Summary |
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| Name | METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE |
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| Identifiers | methyl (2R)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-azanyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-5-phenyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]-methyl-amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate |
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| Formula | C52 H78 N8 O12 |
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| Molecular Weight | 1,007.222 |
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| Type | PEPTIDE-LIKE |
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| Isomeric SMILES | C[C@@H](C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N2CCC[C@@H]2C(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)O |
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| InChI | InChI=1S/C52H78N8O12/c1-31(2)27-37(45(64)54-33(5)47(66)59(10)40(29-35-21-16-13-17-22-35)48(67)60-26-18-23-39(60)50(69)71-11)55-43(63)30-41(61)36(28-34-19-14-12-15-20-34)56-46(65)38(24-25-42(53)62)58(9)49(68)44(32(3)4)57-51(70)72-52(6,7)8/h12-17,19-22,31-33,36-41,44,61H,18,23-30H2,1-11H3,(H2,53,62)(H,54,64)(H,55,63)(H,56,65)(H,57,70)/t33?,36?,37-,38+,39+,40+,41+,44-/m0/s1 |
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| InChIKey | OCAGLXMEXWSQMK-UNFLAIAKSA-N |
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| Composition | Polymer Sequences: BOC-VAL-GNC-PSA-LEU-ALA-ZAE-PDW |
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| BIRD class | ENZYME INHIBITOR |
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| Represented As | POLYMER |
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| Compound Details | n/a |
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| Description | n/a |
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