2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(4-carbamimidoylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(4-amidinophenyl)sulfonylprolyl]amino]-3-phenyl-propionic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N4O5S/c22-19(23)15-8-10-16(11-9-15)31(29,30)25-12-4-7-18(25)20(26)24-17(21(27)28)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H3,22,23)(H,24,26)(H,27,28)