1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]cyclopropanecarboxylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CC2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CC2)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-11(18)22-10-13(9-12-5-3-2-4-6-12)14(19)17-16(7-8-16)15(20)21/h2-6,13H,7-10H2,1H3,(H,17,19)(H,20,21)