3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[phenylmethoxycarbonyl(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[phenylmethoxycarbonyl(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[benzenesulfonyl(benzyloxycarbonyl)amino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid CAS Name: 2-[benzenesulfonyl(phenylmethoxycarbonyl)amino]-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[benzenesulfonyl(phenylmethoxycarbonyl)amino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-[besyl(carbobenzoxy)amino]propionic acid Formula: C28H30N4O8S MolecularWeight: 582.6248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H30N4O8S/c29-26(30)21-13-15-22(16-14-21)39-17-7-12-25(33)31-18-24(27(34)35)32(41(37,38)23-10-5-2-6-11-23)28(36)40-19-20-8-3-1-4-9-20/h1-6,8-11,13-16,24H,7,12,17-19H2,(H3,29,30)(H,31,33)(H,34,35)