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

Systemtic Name: 1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[(2-benzyl-3-sulfanyl-propanoyl)amino]cyclopentanecarboxylic acid CAS Name: 1-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[(2-benzyl-3-mercapto-propanoyl)amino]cyclopentanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C16H21NO3S/c18-14(17-16(15(19)20)8-4-5-9-16)13(11-21)10-12-6-2-1-3-7-12/h1-3,6-7,13,21H,4-5,8-11H2,(H,17,18)(H,19,20)