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

Systemtic Name: 1-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-4-(methylthio)butanoyl]proline Formula: C19H32N4O7S MolecularWeight: 460.54498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O7S/c1-10(2)15(22-16(26)11(20)9-14(24)25)17(27)21-12(6-8-31-3)18(28)23-7-4-5-13(23)19(29)30/h10-13,15H,4-9,20H2,1-3H3,(H,21,27)(H,22,26)(H,24,25)(H,29,30)