(phenylmethyl) 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopentane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopentane-1-carboxylate Openeye Name: benzyl 1-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclopentanecarboxylate CAS Name: 1-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-cyclopentanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]cyclopentane-1-carboxylate Traditional Name: 1-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]cyclopentanecarboxylic acid benzyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29NO4S/c1-19(27)31-18-22(16-20-10-4-2-5-11-20)23(28)26-25(14-8-9-15-25)24(29)30-17-21-12-6-3-7-13-21/h2-7,10-13,22H,8-9,14-18H2,1H3,(H,26,28)