O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(2-oxidanylpropylcarbamoylamino)hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(2-oxidanylpropylcarbamoylamino)hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-(2-hydroxypropylcarbamoylamino)hexanedioate CAS Name: 2-[[(2-hydroxypropylamino)-oxomethyl]amino]hexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-(2-hydroxypropylcarbamoylamino)hexanedioate Traditional Name: 2-(2-hydroxypropylcarbamoylamino)adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C33H52N2O8 MolecularWeight: 604.77458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)OC(=O)CCCCCCCCCCCCCCC=O)O

Isomeric SMILES

CC(CNC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)OC(=O)CCCCCCCCCCCCCCC=O)O

InChI

InChI=1S/C33H52N2O8/c1-27(37)25-34-33(41)35-29(21-18-23-30(38)42-26-28-19-14-13-15-20-28)32(40)43-31(39)22-16-11-9-7-5-3-2-4-6-8-10-12-17-24-36/h13-15,19-20,24,27,29,37H,2-12,16-18,21-23,25-26H2,1H3,(H2,34,35,41)