6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-prop-2-enoxycarbonyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-prop-2-enoxycarbonyl-amino]hexanoic acid Openeye Name: 2-[allyloxycarbonyl-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-6-amino-hexanoic acid CAS Name: 6-amino-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-[oxo(prop-2-enoxy)methyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-prop-2-enoxycarbonylamino]hexanoic acid Traditional Name: 2-[allyloxycarbonyl-(1-tosylprolyl)amino]-6-amino-hexanoic acid Formula: C22H31N3O7S MolecularWeight: 481.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)OCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CCCCN)C(=O)O)C(=O)OCC=C

InChI

InChI=1S/C22H31N3O7S/c1-3-15-32-22(29)25(19(21(27)28)7-4-5-13-23)20(26)18-8-6-14-24(18)33(30,31)17-11-9-16(2)10-12-17/h3,9-12,18-19H,1,4-8,13-15,23H2,2H3,(H,27,28)