4-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-5-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C17H28N4O9S MolecularWeight: 464.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O9S/c1-7(2)13(21-14(26)8(18)5-12(24)25)16(28)19-9(3-4-11(22)23)15(27)20-10(6-31)17(29)30/h7-10,13,31H,3-6,18H2,1-2H3,(H,19,28)(H,20,27)(H,21,26)(H,22,23)(H,24,25)(H,29,30)