methyl (2S)-2-[5-benzamido-2-methyl-6-oxidanylidene-3-[(phenylmethyl)carbamoyl]pyridin-1-yl]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[5-benzamido-2-methyl-6-oxidanylidene-3-[(phenylmethyl)carbamoyl]pyridin-1-yl]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[5-benzamido-3-(benzylcarbamoyl)-2-methyl-6-oxo-1-pyridyl]-3-methyl-butanoate CAS Name: (2S)-2-[5-benzamido-2-methyl-6-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-pyridinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[5-benzamido-3-(benzylcarbamoyl)-2-methyl-6-oxopyridin-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[3-benzamido-5-(benzylcarbamoyl)-2-keto-6-methyl-1-pyridyl]-3-methyl-butyric acid methyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1C(C(C)C)C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=O)N1[C@@H](C(C)C)C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O5/c1-17(2)23(27(34)35-4)30-18(3)21(25(32)28-16-19-11-7-5-8-12-19)15-22(26(30)33)29-24(31)20-13-9-6-10-14-20/h5-15,17,23H,16H2,1-4H3,(H,28,32)(H,29,31)/t23-/m0/s1