N-[2-(2-azanyl-4-methyl-pentanoyl)-6-(2-oxidanylideneethyl)phenyl]-3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-(2-azanyl-4-methyl-pentanoyl)-6-(2-oxidanylideneethyl)phenyl]-3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[2-(2-amino-4-methyl-pentanoyl)-6-(2-oxoethyl)phenyl]-3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[2-(2-amino-4-methyl-1-oxopentyl)-6-(2-oxoethyl)phenyl]-3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-(2-amino-4-methylpentanoyl)-6-(2-oxoethyl)phenyl]-3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[2-(2-amino-4-methyl-pentanoyl)-6-(2-ketoethyl)phenyl]-3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2-carboxamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C(=CC=C1)CC=O)NC(=O)C2=C(C=CN2)C3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C(=CC=C1)CC=O)NC(=O)C2=C(C=CN2)C3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C26H27N3O5/c1-15(2)12-20(27)25(31)19-5-3-4-16(9-11-30)23(19)29-26(32)24-18(8-10-28-24)17-6-7-21-22(13-17)34-14-33-21/h3-8,10-11,13,15,20,28H,9,12,14,27H2,1-2H3,(H,29,32)