(3S)-1-[(2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(2S)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butanoyl]-N-phenyl-nipecotamide Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H37N3O3S/c1-28(2,3)22-14-12-20(13-15-22)25(32)30-24(16-18-35-4)27(34)31-17-8-9-21(19-31)26(33)29-23-10-6-5-7-11-23/h5-7,10-15,21,24H,8-9,16-19H2,1-4H3,(H,29,33)(H,30,32)/t21-,24-/m0/s1