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

Systemtic Name: 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[(1-methyl-4-imidazolyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(1-methylimidazol-4-yl)sulfonylprolyl]amino]-3-phenyl-propionic acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H22N4O5S/c1-21-11-16(19-12-21)28(26,27)22-9-5-8-15(22)17(23)20-14(18(24)25)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14-15H,5,8-10H2,1H3,(H,20,23)(H,24,25)