4-[[2-[[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[5-oxidanyl-1,5-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[5-oxidanyl-1,5-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[(2-acetamido-4-hydroxy-4-oxo-butanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[4-hydroxy-1-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[(2-acetamido-4-hydroxy-1,4-dioxobutyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-[[5-hydroxy-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[5-hydroxy-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[(2-acetamido-4-hydroxy-4-keto-butanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-[[4-hydroxy-1-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid Formula: C29H44N6O16S2 MolecularWeight: 796.82026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O

Isomeric SMILES

CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C29H44N6O16S2/c1-13(36)30-18(11-23(43)44)28(49)33-15(4-7-21(39)40)25(46)34-17(9-10-53-2)27(48)32-14(3-6-20(37)38)24(45)31-16(5-8-22(41)42)26(47)35-19(12-52)29(50)51/h14-19,52H,3-12H2,1-2H3,(H,30,36)(H,31,45)(H,32,48)(H,33,49)(H,34,46)(H,35,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,50,51)