3-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]-2-[[3-(1H-pyrrol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]-2-[[3-(1H-pyrrol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-2-[[3-(1H-pyrrol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[4-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]-2-[[oxo-[3-(1H-pyrrol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]methyl]amino]propanoic acid IUPAC Name: 3-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-2-[[3-(1H-pyrrol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-2-[[3-(1H-pyrrol-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl]amino]propionic acid Formula: C29H30N6O6 MolecularWeight: 558.5851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CCC4=NN=C(N34)CC5=CNC=C5

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3CCC4=NN=C(N34)CC5=CNC=C5

InChI

InChI=1S/C29H30N6O6/c1-40-22-4-3-5-23(41-2)26(22)28(37)31-19-8-6-17(7-9-19)14-20(29(38)39)32-27(36)21-10-11-24-33-34-25(35(21)24)15-18-12-13-30-16-18/h3-9,12-13,16,20-21,30H,10-11,14-15H2,1-2H3,(H,31,37)(H,32,36)(H,38,39)