3-[6-oxidanylidene-2-(2-oxidanylpropylcarbamoylamino)-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[6-oxidanylidene-2-(2-oxidanylpropylcarbamoylamino)-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[6-benzyloxy-2-(2-hydroxypropylcarbamoylamino)-6-oxo-hexanoyl]oxyhexadecanoic acid CAS Name: 3-[2-[[(2-hydroxypropylamino)-oxomethyl]amino]-1,6-dioxo-6-phenylmethoxyhexoxy]hexadecanoic acid IUPAC Name: 3-[2-(2-hydroxypropylcarbamoylamino)-6-oxo-6-phenylmethoxyhexanoyl]oxyhexadecanoic acid Traditional Name: 3-[6-benzoxy-2-(2-hydroxypropylcarbamoylamino)-6-keto-hexanoyl]oxypalmitic acid Formula: C33H54N2O8 MolecularWeight: 606.79046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NCC(C)O

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NCC(C)O

InChI

InChI=1S/C33H54N2O8/c1-3-4-5-6-7-8-9-10-11-12-16-20-28(23-30(37)38)43-32(40)29(35-33(41)34-24-26(2)36)21-17-22-31(39)42-25-27-18-14-13-15-19-27/h13-15,18-19,26,28-29,36H,3-12,16-17,20-25H2,1-2H3,(H,37,38)(H2,34,35,41)