2-oxidanyl-4-oxidanylidene-4-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]amino]butanoic acid

Systemtic Name: 2-oxidanyl-4-oxidanylidene-4-[[1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanyl-butan-2-yl]amino]butanoic acid Openeye Name: 4-[[1-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-3-sulfanyl-propyl]amino]-2-hydroxy-4-oxo-butanoic acid CAS Name: 2-hydroxy-4-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 2-hydroxy-4-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-3-mercapto-propyl]amino]-2-hydroxy-4-keto-butyric acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)CC(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)CC(C(=O)O)O

InChI

InChI=1S/C17H22N2O7S/c20-13(17(25)26)9-14(21)18-11(6-7-27)15(22)19-12(16(23)24)8-10-4-2-1-3-5-10/h1-5,11-13,20,27H,6-9H2,(H,18,21)(H,19,22)(H,23,24)(H,25,26)/t11?,12-,13?/m1/s1