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

Systemtic Name: 2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-mercapto-propionic acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CS)C(=O)O)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC(C(C(=O)NC(CS)C(=O)O)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C15H20N2O6S/c1-9(18)12(13(19)16-11(8-24)14(20)21)17-15(22)23-7-10-5-3-2-4-6-10/h2-6,9,11-12,18,24H,7-8H2,1H3,(H,16,19)(H,17,22)(H,20,21)