(2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]-4-phenylmethoxy-pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]-4-phenylmethoxy-pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-hydroxy-3-oxo-propanoyl]amino]-3-hydroxy-3-oxo-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]-4-benzyloxy-pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: (2S)-2-[[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-hydroxy-1,3-dioxopropyl]amino]-3-hydroxy-1,3-dioxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-4-phenylmethoxy-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-hydroxy-3-oxopropanoyl]amino]-3-hydroxy-3-oxopropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-hydroxy-3-keto-propanoyl]amino]-3-hydroxy-3-keto-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]-4-benzoxy-prolyl]amino]valeric acid Formula: C36H52N6O13 MolecularWeight: 776.83048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1CC(CN1C(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C(=O)O)NC(=O)C(C(=O)O)NC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C(=O)O)NC(=O)[C@H](C(=O)O)NC(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C36H52N6O13/c1-7-12-23(34(49)50)38-29(44)24-15-22(55-17-21-13-10-9-11-14-21)16-42(24)33(48)25(18(3)4)39-30(45)26(19(5)8-2)40-32(47)28(36(53)54)41-31(46)27(35(51)52)37-20(6)43/h9-11,13-14,18-19,22-28H,7-8,12,15-17H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,47)(H,41,46)(H,49,50)(H,51,52)(H,53,54)/t19-,22+,23-,24-,25-,26-,27+,28-/m0/s1