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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-2-(benzenesulfonamido)propionic acid Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O6S/c21-18(22)13-6-8-14(9-7-13)19(27)23-11-10-17(26)24-12-16(20(28)29)25-32(30,31)15-4-2-1-3-5-15/h1-9,16,25H,10-12H2,(H3,21,22)(H,23,27)(H,24,26)(H,28,29)