1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[(2-benzyl-3-sulfanyl-propanoyl)amino]cyclopropanecarboxylic acid CAS Name: 1-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[(2-benzyl-3-mercapto-propanoyl)amino]cyclopropanecarboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

C1CC1(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C14H17NO3S/c16-12(15-14(6-7-14)13(17)18)11(9-19)8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2,(H,15,16)(H,17,18)