4-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[2-[[2-[2-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[2-[[2-[2-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-[2-[[2-[2-[[1-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-[2-[[[2-[2-[[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-[2-[[2-[2-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-[2-[[2-[2-[[1-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C35H57N9O13S2 MolecularWeight: 876.00958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CS)C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C2CCCN2C(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CS)C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C2CCCN2C(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CS)N

InChI

InChI=1S/C35H57N9O13S2/c1-4-17(2)27(33(54)40-21(16-59)35(56)57)41-31(52)23-8-5-11-43(23)25(47)14-38-30(51)22-7-6-12-44(22)34(55)20(9-10-26(48)49)39-24(46)13-37-32(53)28(18(3)45)42-29(50)19(36)15-58/h17-23,27-28,45,58-59H,4-16,36H2,1-3H3,(H,37,53)(H,38,51)(H,39,46)(H,40,54)(H,41,52)(H,42,50)(H,48,49)(H,56,57)