O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(morpholin-4-ylcarbamoylamino)hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(morpholin-4-ylcarbamoylamino)hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-(morpholinocarbamoylamino)hexanedioate CAS Name: 2-[[(4-morpholinylamino)-oxomethyl]amino]hexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-(morpholin-4-ylcarbamoylamino)hexanedioate Traditional Name: 2-(morpholinocarbamoylamino)adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C34H53N3O8 MolecularWeight: 631.79992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1COCCN1NC(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C34H53N3O8/c38-25-16-11-9-7-5-3-1-2-4-6-8-10-15-21-32(40)45-33(41)30(35-34(42)36-37-23-26-43-27-24-37)20-17-22-31(39)44-28-29-18-13-12-14-19-29/h12-14,18-19,25,30H,1-11,15-17,20-24,26-28H2,(H2,35,36,42)