6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-[(2-methylpropylamino)methyl]-2-(phenylmethyl)benzoic acid

Systemtic Name: 6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-[(2-methylpropylamino)methyl]-2-(phenylmethyl)benzoic acid Openeye Name: 2-benzyl-6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-[(isobutylamino)methyl]benzoic acid CAS Name: 6-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-3-[(2-methylpropylamino)methyl]-2-(phenylmethyl)benzoic acid IUPAC Name: 2-benzyl-6-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-[(2-methylpropylamino)methyl]benzoic acid Traditional Name: 6-[2-[(4-amidinophenyl)carbamoyl]phenyl]-2-benzyl-3-[(isobutylamino)methyl]benzoic acid Formula: C33H34N4O3 MolecularWeight: 534.64806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=C(C(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CNCC1=C(C(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C33H34N4O3/c1-21(2)19-36-20-24-14-17-27(30(33(39)40)29(24)18-22-8-4-3-5-9-22)26-10-6-7-11-28(26)32(38)37-25-15-12-23(13-16-25)31(34)35/h3-17,21,36H,18-20H2,1-2H3,(H3,34,35)(H,37,38)(H,39,40)