(phenylmethyl) 5-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[(5-chloro-2-pyridyl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 5-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(5-chloropyridin-2-yl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 5-[(5-chloro-2-pyridyl)carbamoylamino]-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C35H49ClN4O6 MolecularWeight: 657.23976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C35H49ClN4O6/c36-29-23-24-31(37-26-29)39-35(45)38-30(20-17-22-33(43)46-27-28-18-13-12-14-19-28)34(44)40-32(42)21-15-10-8-6-4-2-1-3-5-7-9-11-16-25-41/h12-14,18-19,23-26,30H,1-11,15-17,20-22,27H2,(H,40,42,44)(H2,37,38,39,45)