2-[(4-carbamimidoylphenyl)carbonyloxy-(phenylsulfonyl)amino]-3-phenyl-propanoic acid; ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonyloxy-(phenylsulfonyl)amino]-3-phenyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[benzenesulfonyl-(4-carbamimidoylbenzoyl)oxy-amino]-3-phenyl-propanoic acid CAS Name: acetic acid; 2-[benzenesulfonyl-[(4-carbamimidoylphenyl)-oxomethoxy]amino]-3-phenylpropanoic acid IUPAC Name: acetic acid; 2-[benzenesulfonyl-(4-carbamimidoylbenzoyl)oxyamino]-3-phenylpropanoic acid Traditional Name: acetic acid; 2-[(4-amidinobenzoyl)oxy-besyl-amino]-3-phenyl-propionic acid Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CC(C(=O)O)N(OC(=O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)CC(C(=O)O)N(OC(=O)C2=CC=C(C=C2)C(=N)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O6S.C2H4O2/c24-21(25)17-11-13-18(14-12-17)23(29)32-26(33(30,31)19-9-5-2-6-10-19)20(22(27)28)15-16-7-3-1-4-8-16;1-2(3)4/h1-14,20H,15H2,(H3,24,25)(H,27,28);1H3,(H,3,4)