1-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-3-mercapto-propanoyl]proline Formula: C17H28N4O7S MolecularWeight: 432.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CS)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C17H28N4O7S/c1-8(2)13(20-14(24)9(18)6-12(22)23)15(25)19-10(7-29)16(26)21-5-3-4-11(21)17(27)28/h8-11,13,29H,3-7,18H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)(H,27,28)