2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylmethyl)benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylmethyl)benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylmethyl)benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylmethyl)-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylmethyl)benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylmethyl)benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C23H24N5O6P MolecularWeight: 497.440321

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=CC(=C3)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C2CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC1CN2C3=C(C=CC(=C3)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C2CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H24N5O6P/c29-22(27-18(23(30)31)12-35(32,33)34)14-7-8-17-19(9-14)28(11-13-5-6-13)21(26-17)10-20-24-15-3-1-2-4-16(15)25-20/h1-4,7-9,13,18H,5-6,10-12H2,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)