O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(5-chloranylpyridin-2-yl)carbamoylamino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(5-chloranylpyridin-2-yl)carbamoylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[(5-chloro-2-pyridyl)carbamoylamino]hexanedioate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-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-[(5-chloropyridin-2-yl)carbamoylamino]hexanedioate Traditional Name: 2-[(5-chloro-2-pyridyl)carbamoylamino]adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C35H51ClN4O6 MolecularWeight: 659.25564

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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)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C35H51ClN4O6/c1-2-3-4-5-6-7-8-9-10-11-15-19-29(24-31(37)41)46-33(42)21-16-20-30(34(43)45-26-27-17-13-12-14-18-27)39-35(44)40-32-23-22-28(36)25-38-32/h12-14,17-18,22-23,25,29-30H,2-11,15-16,19-21,24,26H2,1H3,(H2,37,41)(H2,38,39,40,44)