(phenylmethyl) 1-[5-(2-azanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-3-yl]piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[5-(2-azanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-3-yl]piperidine-4-carboxylate Openeye Name: benzyl 1-[5-[(2-aminoacetyl)amino]-4-(2-chlorobenzoyl)-3-thienyl]piperidine-4-carboxylate CAS Name: 1-[5-[(2-amino-1-oxoethyl)amino]-4-[(2-chlorophenyl)-oxomethyl]-3-thiophenyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[5-[(2-aminoacetyl)amino]-4-(2-chlorobenzoyl)thiophen-3-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(2-chlorobenzoyl)-5-(glycylamino)-3-thienyl]isonipecotic acid benzyl ester Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C3=CSC(=C3C(=O)C4=CC=CC=C4Cl)NC(=O)CN

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C3=CSC(=C3C(=O)C4=CC=CC=C4Cl)NC(=O)CN

InChI

InChI=1S/C26H26ClN3O4S/c27-20-9-5-4-8-19(20)24(32)23-21(16-35-25(23)29-22(31)14-28)30-12-10-18(11-13-30)26(33)34-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15,28H2,(H,29,31)