1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-4-methyl-1-oxopentyl]-N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl]isonipecotamide Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O4/c1-14(2)12-18(24)23(30)27-10-8-17(9-11-27)22(29)25-16(4)21(28)26-19-13-15(3)6-7-20(19)31-5/h6-7,13-14,16-18H,8-12,24H2,1-5H3,(H,25,29)(H,26,28)/t16-,18-/m0/s1