6-azanyl-2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl-prop-2-enoxycarbonyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl-prop-2-enoxycarbonyl-amino]hexanoic acid Openeye Name: 2-[allyloxycarbonyl-[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-6-amino-hexanoic acid CAS Name: 6-amino-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-[oxo(prop-2-enoxy)methyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-prop-2-enoxycarbonylamino]hexanoic acid Traditional Name: 2-[allyloxycarbonyl-[2-[methyl(tosyl)amino]acetyl]amino]-6-amino-hexanoic acid Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O7S/c1-4-13-30-20(27)23(17(19(25)26)7-5-6-12-21)18(24)14-22(3)31(28,29)16-10-8-15(2)9-11-16/h4,8-11,17H,1,5-7,12-14,21H2,2-3H3,(H,25,26)