methyl 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-(4-carbamimidoylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-carbamimidoylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-(4-amidinophenyl)sulfonylprolyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N4O5S/c1-31-22(28)18(14-15-6-3-2-4-7-15)25-21(27)19-8-5-13-26(19)32(29,30)17-11-9-16(10-12-17)20(23)24/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H3,23,24)(H,25,27)