3-azanyl-4-[[3-methyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[3-methyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[2-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C17H28N4O7S MolecularWeight: 432.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CS)C(=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)16(26)21-5-3-4-11(21)15(25)19-10(7-29)17(27)28/h8-11,13,29H,3-7,18H2,1-2H3,(H,19,25)(H,20,24)(H,22,23)(H,27,28)