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

Systemtic Name: tert-butyl 4-[(4-methylsulfanyl-2-phenylmethoxycarbonyl-butanoyl)amino]-3-(propan-2-ylsulfonylmethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-benzyloxycarbonyl-4-methylsulfanyl-butanoyl)amino]-3-(isopropylsulfonylmethyl)piperidine-1-carboxylate CAS Name: 4-[[4-(methylthio)-1-oxo-2-phenylmethoxycarbonylbutyl]amino]-3-(propan-2-ylsulfonylmethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylsulfanyl-2-phenylmethoxycarbonylbutanoyl)amino]-3-(propan-2-ylsulfonylmethyl)piperidine-1-carboxylate Traditional Name: 4-[[2-carbobenzoxy-4-(methylthio)butanoyl]amino]-3-(isopropylsulfonylmethyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C27H42N2O7S2 MolecularWeight: 570.76158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)CC1CN(CCC1NC(=O)C(CCSC)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)CC1CN(CCC1NC(=O)C(CCSC)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H42N2O7S2/c1-19(2)38(33,34)18-21-16-29(26(32)36-27(3,4)5)14-12-23(21)28-24(30)22(13-15-37-6)25(31)35-17-20-10-8-7-9-11-20/h7-11,19,21-23H,12-18H2,1-6H3,(H,28,30)