methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-oxidanylidene-heptanoyl]amino]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-oxidanylidene-heptanoyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-oxo-heptanoyl]amino]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-1,7-dioxoheptyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[[7-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-7-oxoheptanoyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[7-[(4-carbomethoxy-5-methyl-1H-pyrrol-3-yl)amino]-7-keto-heptanoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1)NC(=O)CCCCCC(=O)NC2=CNC(=C2C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CN1)NC(=O)CCCCCC(=O)NC2=CNC(=C2C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C21H28N4O6/c1-12-18(20(28)30-3)14(10-22-12)24-16(26)8-6-5-7-9-17(27)25-15-11-23-13(2)19(15)21(29)31-4/h10-11,22-23H,5-9H2,1-4H3,(H,24,26)(H,25,27)