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

Systemtic Name: methyl (2S)-2-[[5-benzamido-2-methyl-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(5-benzamido-1-benzyl-2-methyl-6-oxo-pyridine-3-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[5-benzamido-2-methyl-6-oxo-1-(phenylmethyl)-3-pyridinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-benzamido-1-benzyl-2-methyl-6-oxopyridine-3-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(5-benzamido-1-benzyl-6-keto-2-methyl-nicotinoyl)amino]-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)N1CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=O)N1CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

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