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: 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]-4-oxo-butanoic acid CAS Name: 4-[[1-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-4-mercapto-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 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]-4-keto-butyric acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c20-14(6-7-15(21)22)18-12(8-9-26)16(23)19-13(17(24)25)10-11-4-2-1-3-5-11/h1-5,12-13,26H,6-10H2,(H,18,20)(H,19,23)(H,21,22)(H,24,25)/t12?,13-/m1/s1