1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-3-methyl-1-oxobutyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]isonipecotamide Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)NC(C)C(=O)NCC2=CC=C(C=C2)OC)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C22H34N4O4/c1-14(2)19(23)22(29)26-11-9-17(10-12-26)21(28)25-15(3)20(27)24-13-16-5-7-18(30-4)8-6-16/h5-8,14-15,17,19H,9-13,23H2,1-4H3,(H,24,27)(H,25,28)/t15-,19-/m0/s1