(4S)-5-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-oxidanyl-2-[[(2S)-1-[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-oxidanyl-2-[[(2S)-1-[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-formyl-4-hydroxy-4-oxo-butyl]amino]-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(2S)-5-hydroxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[[(2S)-1-[(2S)-5-hydroxy-1,5-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(2S)-5-hydroxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-formyl-4-hydroxy-4-keto-butyl]amino]-4-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-1-[(2S)-5-hydroxy-5-keto-2-[[(2S)-prolyl]amino]pentanoyl]prolyl]amino]butanoyl]amino]propanoyl]prolyl]prolyl]amino]-5-keto-valeric acid Formula: C42H63N9O16 MolecularWeight: 950.00032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C=O)NC(=O)C3CCCN3C(=O)C(CCC(=O)O)NC(=O)C4CCCN4)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4)O

InChI

InChI=1S/C42H63N9O16/c1-22(44-39(64)34(23(2)53)48-38(63)29-9-4-18-49(29)41(66)27(13-16-33(58)59)47-35(60)25-7-3-17-43-25)40(65)51-20-6-10-30(51)42(67)50-19-5-8-28(50)37(62)46-26(12-15-32(56)57)36(61)45-24(21-52)11-14-31(54)55/h21-30,34,43,53H,3-20H2,1-2H3,(H,44,64)(H,45,61)(H,46,62)(H,47,60)(H,48,63)(H,54,55)(H,56,57)(H,58,59)/t22-,23+,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1