O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(2-oxidanylpropylcarbamoylamino)hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(2-oxidanylpropylcarbamoylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(2-hydroxypropylcarbamoylamino)hexanedioate CAS Name: 2-[[(2-hydroxypropylamino)-oxomethyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-(2-hydroxypropylcarbamoylamino)hexanedioate Traditional Name: 2-(2-hydroxypropylcarbamoylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C33H55N3O7 MolecularWeight: 605.8057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H55N3O7/c1-3-4-5-6-7-8-9-10-11-12-16-20-28(23-30(34)38)43-31(39)22-17-21-29(36-33(41)35-24-26(2)37)32(40)42-25-27-18-14-13-15-19-27/h13-15,18-19,26,28-29,37H,3-12,16-17,20-25H2,1-2H3,(H2,34,38)(H2,35,36,41)