(3S)-4-(3-carbamimidoylphenyl)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(3-carbamimidoylphenyl)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(3-carbamimidoylphenyl)-3-(2-naphthylsulfonylamino)-2-oxo-butanoic acid CAS Name: (3S)-4-(3-carbamimidoylphenyl)-3-(2-naphthalenylsulfonylamino)-2-oxobutanoic acid IUPAC Name: (3S)-4-(3-carbamimidoylphenyl)-3-(naphthalen-2-ylsulfonylamino)-2-oxobutanoic acid Traditional Name: (3S)-4-(3-amidinophenyl)-2-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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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)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N[C@@H](CC3=CC=CC(=C3)C(=N)N)C(=O)C(=O)O

InChI

InChI=1S/C21H19N3O5S/c22-20(23)16-7-3-4-13(10-16)11-18(19(25)21(26)27)24-30(28,29)17-9-8-14-5-1-2-6-15(14)12-17/h1-10,12,18,24H,11H2,(H3,22,23)(H,26,27)/t18-/m0/s1