(phenylmethyl) 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-[(cyclohexylamino)-oxomethyl]-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(cyclohexylcarbamoyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H39N5O4S MolecularWeight: 529.69466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2)C3CC(N(C3)C(=O)OCC4=CC=CC=C4)C(=O)N5CCSC5

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2)C3CC(N(C3)C(=O)OCC4=CC=CC=C4)C(=O)N5CCSC5

InChI

InChI=1S/C27H39N5O4S/c33-25(31-15-16-37-20-31)24-17-23(18-32(24)27(35)36-19-21-7-3-1-4-8-21)29-11-13-30(14-12-29)26(34)28-22-9-5-2-6-10-22/h1,3-4,7-8,22-24H,2,5-6,9-20H2,(H,28,34)