O3-tert-butyl O1-methyl 4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]piperidine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-methyl 4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]piperidine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-methyl 4-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]piperidine-1,3-dicarboxylate CAS Name: 4-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]piperidine-1,3-dicarboxylate Traditional Name: 4-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester Formula: C25H37N3O7S MolecularWeight: 523.64218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCC1NC(=O)C(CCSC)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCC1NC(=O)C(CCSC)NC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H37N3O7S/c1-25(2,3)35-22(30)18-15-28(24(32)33-4)13-11-19(18)26-21(29)20(12-14-36-5)27-23(31)34-16-17-9-7-6-8-10-17/h6-10,18-20H,11-16H2,1-5H3,(H,26,29)(H,27,31)