2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)phenyl]carbonylamino]-5-phenyl-pentanoic acid

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)phenyl]carbonylamino]-5-phenyl-pentanoic acid Openeye Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)benzoyl]amino]-5-phenyl-pentanoic acid CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(1-methyl-3-pyridin-1-iumyl)phenyl]-oxomethyl]amino]-5-phenylpentanoic acid IUPAC Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-methylpyridin-1-ium-3-yl)benzoyl]amino]-5-phenylpentanoic acid Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(1-methylpyridin-1-ium-3-yl)benzoyl]amino]-5-phenyl-valeric acid Formula: C32H33N4O3+ MolecularWeight: 521.62942

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CCC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CCC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C32H32N4O3/c1-36-18-6-11-27(21-36)24-13-15-25(16-14-24)31(37)35-29(17-12-22-7-3-2-4-8-22)28(32(38)39)20-23-9-5-10-26(19-23)30(33)34/h2-11,13-16,18-19,21,28-29H,12,17,20H2,1H3,(H4-,33,34,35,37,38,39)/p+1