cyclohexylmethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

Systemtic Name: cyclohexylmethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: cyclohexylmethyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid cyclohexylmethyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

C1CCC(CC1)COC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C24H29NO3S/c26-23(21(17-29)14-18-8-3-1-4-9-18)25-22-13-7-12-20(15-22)24(27)28-16-19-10-5-2-6-11-19/h1,3-4,7-9,12-13,15,19,21,29H,2,5-6,10-11,14,16-17H2,(H,25,26)