2-[[2-[2-(cyclopentylamino)pyridin-4-yl]-3H-benzimidazol-5-yl]carbonylamino]-4-pyrrol-1-yl-butanoic acid

Systemtic Name: 2-[[2-[2-(cyclopentylamino)pyridin-4-yl]-3H-benzimidazol-5-yl]carbonylamino]-4-pyrrol-1-yl-butanoic acid Openeye Name: 2-[[2-[2-(cyclopentylamino)-4-pyridyl]-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-yl-butanoic acid CAS Name: 2-[[[2-[2-(cyclopentylamino)-4-pyridinyl]-3H-benzimidazol-5-yl]-oxomethyl]amino]-4-(1-pyrrolyl)butanoic acid IUPAC Name: 2-[[2-[2-(cyclopentylamino)pyridin-4-yl]-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-ylbutanoic acid Traditional Name: 2-[[2-[2-(cyclopentylamino)-4-pyridyl]-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-yl-butyric acid Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC(CCN5C=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)NC2=NC=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)NC(CCN5C=CC=C5)C(=O)O

InChI

InChI=1S/C26H28N6O3/c33-25(31-21(26(34)35)10-14-32-12-3-4-13-32)18-7-8-20-22(15-18)30-24(29-20)17-9-11-27-23(16-17)28-19-5-1-2-6-19/h3-4,7-9,11-13,15-16,19,21H,1-2,5-6,10,14H2,(H,27,28)(H,29,30)(H,31,33)(H,34,35)