ethyl 1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-acetamido-4-(methylthio)butanoyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H36N2O4S MolecularWeight: 448.61864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(CCSC)NC(=O)C)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H](CCSC)NC(=O)C)CCCC2=CC=CC=C2

InChI

InChI=1S/C24H36N2O4S/c1-4-30-23(29)24(13-8-11-20-9-6-5-7-10-20)14-16-26(17-15-24)22(28)21(12-18-31-3)25-19(2)27/h5-7,9-10,21H,4,8,11-18H2,1-3H3,(H,25,27)/t21-/m0/s1