2-[ethenylsulfonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-hexanoyl-pentanedioic acid

Systemtic Name: 2-[ethenylsulfonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-hexanoyl-pentanedioic acid Openeye Name: 2-[(tert-butoxycarbonylamino)-vinylsulfonyl-amino]-2-hexanoyl-pentanedioic acid CAS Name: 2-[ethenylsulfonyl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-2-(1-oxohexyl)pentanedioic acid IUPAC Name: 2-[ethenylsulfonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-hexanoylpentanedioic acid Traditional Name: 2-[(tert-butoxycarbonylamino)-vinylsulfonyl-amino]-2-caproyl-glutaric acid Formula: C18H30N2O9S MolecularWeight: 450.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCC(=O)O)(C(=O)O)N(NC(=O)OC(C)(C)C)S(=O)(=O)C=C

Isomeric SMILES

CCCCCC(=O)C(CCC(=O)O)(C(=O)O)N(NC(=O)OC(C)(C)C)S(=O)(=O)C=C

InChI

InChI=1S/C18H30N2O9S/c1-6-8-9-10-13(21)18(15(24)25,12-11-14(22)23)20(30(27,28)7-2)19-16(26)29-17(3,4)5/h7H,2,6,8-12H2,1,3-5H3,(H,19,26)(H,22,23)(H,24,25)