[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N4O4/c1-17(2)24(30-26(33)20-11-7-5-8-12-20)27(34)35-16-23(32)29-25-22(15-28)18(3)19(4)31(25)21-13-9-6-10-14-21/h5-14,17,24H,16H2,1-4H3,(H,29,32)(H,30,33)/t24-/m0/s1