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

Systemtic Name: 2-[[2-[2-(hexylamino)pyridin-4-yl]-3H-benzimidazol-5-yl]carbonylamino]-4-pyrrol-1-yl-butanoic acid Openeye Name: 2-[[2-[2-(hexylamino)-4-pyridyl]-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-yl-butanoic acid CAS Name: 2-[[[2-[2-(hexylamino)-4-pyridinyl]-3H-benzimidazol-5-yl]-oxomethyl]amino]-4-(1-pyrrolyl)butanoic acid IUPAC Name: 2-[[2-[2-(hexylamino)pyridin-4-yl]-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-ylbutanoic acid Traditional Name: 2-[[2-[2-(hexylamino)-4-pyridyl]-3H-benzimidazole-5-carbonyl]amino]-4-pyrrol-1-yl-butyric acid Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC(CCN4C=CC=C4)C(=O)O

Isomeric SMILES

CCCCCCNC1=NC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC(CCN4C=CC=C4)C(=O)O

InChI

InChI=1S/C27H32N6O3/c1-2-3-4-5-12-28-24-18-19(10-13-29-24)25-30-21-9-8-20(17-23(21)31-25)26(34)32-22(27(35)36)11-16-33-14-6-7-15-33/h6-10,13-15,17-18,22H,2-5,11-12,16H2,1H3,(H,28,29)(H,30,31)(H,32,34)(H,35,36)