2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]succinic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO6S/c1-10(18)24-9-12(7-11-5-3-2-4-6-11)15(21)17-13(16(22)23)8-14(19)20/h2-6,12-13H,7-9H2,1H3,(H,17,21)(H,19,20)(H,22,23)