2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-hydroxy-propionic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CO)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)NC(CO)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O6S/c1-25-8-7-12(14(20)17-13(9-19)15(21)22)18-16(23)24-10-11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3,(H,17,20)(H,18,23)(H,21,22)