3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxidanylidene-propanoic acid hydrochloride

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxidanylidene-propanoic acid hydrochloride Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxo-propanoic acid hydrochloride CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]amino]-2-cyclopentyl-2-methoxy-3-oxopropanoic acid hydrochloride IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]amino]-2-cyclopentyl-2-methoxy-3-oxopropanoic acid hydrochloride Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]amino]-2-cyclopentyl-3-keto-2-methoxy-propionic acid hydrochloride Formula: C25H30ClN5O4 MolecularWeight: 499.9898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C(C3CCCC3)(C(=O)O)OC)N=C1CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C(C3CCCC3)(C(=O)O)OC)N=C1CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C25H29N5O4.ClH/c1-30-20-12-11-18(28-23(31)25(34-2,24(32)33)17-5-3-4-6-17)14-19(20)29-21(30)13-15-7-9-16(10-8-15)22(26)27;/h7-12,14,17H,3-6,13H2,1-2H3,(H3,26,27)(H,28,31)(H,32,33);1H