3-[[4-[(4-carbamimidoylphenyl)carbamoyl]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)carbamoyl]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-[(4-carbamimidoylphenyl)carbamoyl]benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[4-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-[(4-carbamimidoylphenyl)carbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-amidinophenyl)carbamoyl]benzoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C24H23N5O6S MolecularWeight: 509.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C24H23N5O6S/c25-21(26)15-10-12-18(13-11-15)28-23(31)17-8-6-16(7-9-17)22(30)27-14-20(24(32)33)29-36(34,35)19-4-2-1-3-5-19/h1-13,20,29H,14H2,(H3,25,26)(H,27,30)(H,28,31)(H,32,33)