3-(1H-imidazol-5-yl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C18H22N4O5S/c1-12-4-6-14(7-5-12)28(26,27)22-8-2-3-16(22)17(23)21-15(18(24)25)9-13-10-19-11-20-13/h4-7,10-11,15-16H,2-3,8-9H2,1H3,(H,19,20)(H,21,23)(H,24,25)