2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[12-(2-methylprop-2-enoylamino)dodecanoylamino]hexanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[12-(2-methylprop-2-enoylamino)dodecanoylamino]hexanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-6-[12-(2-methylprop-2-enoylamino)dodecanoylamino]hexanoic acid CAS Name: 6-[[12-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxododecyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[12-(2-methylprop-2-enoylamino)dodecanoylamino]hexanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-6-(12-methacrylamidododecanoylamino)hexanoic acid Formula: C27H49N3O6 MolecularWeight: 511.69446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=C)C(=O)NCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H49N3O6/c1-21(2)24(32)29-20-15-12-10-8-6-7-9-11-13-18-23(31)28-19-16-14-17-22(25(33)34)30-26(35)36-27(3,4)5/h22H,1,6-20H2,2-5H3,(H,28,31)(H,29,32)(H,30,35)(H,33,34)