tert-butyl 4-[(4-methylsulfanyl-2-phenylmethoxycarbonyl-butanoyl)amino]-3-propyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylsulfanyl-2-phenylmethoxycarbonyl-butanoyl)amino]-3-propyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-benzyloxycarbonyl-4-methylsulfanyl-butanoyl)amino]-3-propyl-piperidine-1-carboxylate CAS Name: 4-[[4-(methylthio)-1-oxo-2-phenylmethoxycarbonylbutyl]amino]-3-propyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylsulfanyl-2-phenylmethoxycarbonylbutanoyl)amino]-3-propylpiperidine-1-carboxylate Traditional Name: 4-[[2-carbobenzoxy-4-(methylthio)butanoyl]amino]-3-propyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C26H40N2O5S MolecularWeight: 492.6712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCC1NC(=O)C(CCSC)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC1CN(CCC1NC(=O)C(CCSC)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H40N2O5S/c1-6-10-20-17-28(25(31)33-26(2,3)4)15-13-22(20)27-23(29)21(14-16-34-5)24(30)32-18-19-11-8-7-9-12-19/h7-9,11-12,20-22H,6,10,13-18H2,1-5H3,(H,27,29)