5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoyloxy)hexanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoyloxy)hexanoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-6-oxo-6-(16-oxohexadecanoyloxy)hexanoic acid CAS Name: 6-(1,16-dioxohexadecoxy)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(16-oxohexadecanoyloxy)hexanoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-6-keto-6-(16-ketohexadecanoyloxy)hexanoic acid Formula: C27H47NO8 MolecularWeight: 513.66398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(=O)O)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC(=O)O)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C27H47NO8/c1-27(2,3)36-26(34)28-22(18-17-19-23(30)31)25(33)35-24(32)20-15-13-11-9-7-5-4-6-8-10-12-14-16-21-29/h21-22H,4-20H2,1-3H3,(H,28,34)(H,30,31)