3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-6-oxidanylidene-hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-6-oxidanylidene-hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)-6-hydroxy-6-oxo-hexanoyl]oxyhexadecanoic acid CAS Name: 3-[6-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,6-dioxohexoxy]hexadecanoic acid IUPAC Name: 3-[6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoyl]oxyhexadecanoic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)-6-hydroxy-6-keto-hexanoyl]oxypalmitic acid Formula: C27H49NO8 MolecularWeight: 515.67986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49NO8/c1-5-6-7-8-9-10-11-12-13-14-15-17-21(20-24(31)32)35-25(33)22(18-16-19-23(29)30)28-26(34)36-27(2,3)4/h21-22H,5-20H2,1-4H3,(H,28,34)(H,29,30)(H,31,32)