ditert-butyl 2-[[(3R)-3-azanyl-4-methoxy-1-methylsulfanyl-4-oxidanylidene-3-phenyl-butyl]carbamoyl]piperidine-1,2-dicarboxylate

Systemtic Name: ditert-butyl 2-[[(3R)-3-azanyl-4-methoxy-1-methylsulfanyl-4-oxidanylidene-3-phenyl-butyl]carbamoyl]piperidine-1,2-dicarboxylate Openeye Name: ditert-butyl 2-[[(3R)-3-amino-4-methoxy-1-methylsulfanyl-4-oxo-3-phenyl-butyl]carbamoyl]piperidine-1,2-dicarboxylate CAS Name: 2-[[[(3R)-3-amino-4-methoxy-1-(methylthio)-4-oxo-3-phenylbutyl]amino]-oxomethyl]piperidine-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[(3R)-3-amino-4-methoxy-1-methylsulfanyl-4-oxo-3-phenylbutyl]carbamoyl]piperidine-1,2-dicarboxylate Traditional Name: 2-[[(3R)-3-amino-4-keto-4-methoxy-1-(methylthio)-3-phenyl-butyl]carbamoyl]piperidine-1,2-dicarboxylic acid ditert-butyl ester Formula: C28H43N3O7S MolecularWeight: 565.72192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCCN1C(=O)OC(C)(C)C)C(=O)NC(CC(C2=CC=CC=C2)(C(=O)OC)N)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCCN1C(=O)OC(C)(C)C)C(=O)NC(C[C@@](C2=CC=CC=C2)(C(=O)OC)N)SC

InChI

InChI=1S/C28H43N3O7S/c1-25(2,3)37-23(34)28(16-12-13-17-31(28)24(35)38-26(4,5)6)21(32)30-20(39-8)18-27(29,22(33)36-7)19-14-10-9-11-15-19/h9-11,14-15,20H,12-13,16-18,29H2,1-8H3,(H,30,32)/t20?,27-,28?/m1/s1