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

Systemtic Name: 3-[[4-(2-azanylethylcarbamoyl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[4-(2-aminoethylcarbamoyl)benzoyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[4-[(2-aminoethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[4-(2-aminoethylcarbamoyl)benzoyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[4-(2-aminoethylcarbamoyl)benzoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)C(=O)NCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)C(=O)NCCN)C(=O)O

InChI

InChI=1S/C19H22N4O6S/c20-10-11-21-17(24)13-6-8-14(9-7-13)18(25)22-12-16(19(26)27)23-30(28,29)15-4-2-1-3-5-15/h1-9,16,23H,10-12,20H2,(H,21,24)(H,22,25)(H,26,27)