4-azanyl-2-[(3-carbamimidoylphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(3-carbamimidoylphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3-carbamimidoylphenyl)methyl]-2-(2-naphthylsulfonylamino)-3-oxo-butanoic acid CAS Name: 4-amino-2-[(3-carbamimidoylphenyl)methyl]-2-(2-naphthalenylsulfonylamino)-3-oxobutanoic acid IUPAC Name: 4-amino-2-[(3-carbamimidoylphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)-3-oxobutanoic acid Traditional Name: 2-(3-amidinobenzyl)-4-amino-3-keto-2-(2-naphthylsulfonylamino)butyric acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)(C(=O)CN)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)(C(=O)CN)C(=O)O

InChI

InChI=1S/C22H22N4O5S/c23-13-19(27)22(21(28)29,12-14-4-3-7-17(10-14)20(24)25)26-32(30,31)18-9-8-15-5-1-2-6-16(15)11-18/h1-11,26H,12-13,23H2,(H3,24,25)(H,28,29)