(phenylmethyl) 4-[(1-azanyl-3,3-dimethyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-3-(3-phenylpyrrol-1-yl)butanoate

Systemtic Name: (phenylmethyl) 4-[(1-azanyl-3,3-dimethyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-3-(3-phenylpyrrol-1-yl)butanoate Openeye Name: benzyl 4-[(1-carbamoyl-2,2-dimethyl-propyl)amino]-4-oxo-3-(3-phenylpyrrol-1-yl)butanoate CAS Name: 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-4-oxo-3-(3-phenyl-1-pyrrolyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-4-oxo-3-(3-phenylpyrrol-1-yl)butanoate Traditional Name: 4-[(1-carbamoyl-2,2-dimethyl-propyl)amino]-4-keto-3-(3-phenylpyrrol-1-yl)butyric acid benzyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N)NC(=O)C(CC(=O)OCC1=CC=CC=C1)N2C=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(C(=O)N)NC(=O)C(CC(=O)OCC1=CC=CC=C1)N2C=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O4/c1-27(2,3)24(25(28)32)29-26(33)22(16-23(31)34-18-19-10-6-4-7-11-19)30-15-14-21(17-30)20-12-8-5-9-13-20/h4-15,17,22,24H,16,18H2,1-3H3,(H2,28,32)(H,29,33)