1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-4-methylsulfanyl-butanoyl]-N-[(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-4-(methylthio)butanoyl]-N-[(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]isonipecotamide Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(CCSC)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@H](CCSC)N

InChI

InChI=1S/C22H34N4O3S/c1-15-4-6-17(7-5-15)14-24-20(27)16(2)25-21(28)18-8-11-26(12-9-18)22(29)19(23)10-13-30-3/h4-7,16,18-19H,8-14,23H2,1-3H3,(H,24,27)(H,25,28)/t16-,19-/m0/s1