O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-[(5-chloranylpyridin-2-yl)carbamoylamino]hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-[(5-chloranylpyridin-2-yl)carbamoylamino]hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-[(5-chloro-2-pyridyl)carbamoylamino]hexanedioate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]hexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-[(5-chloropyridin-2-yl)carbamoylamino]hexanedioate Traditional Name: 2-[(5-chloro-2-pyridyl)carbamoylamino]adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C35H48ClN3O7 MolecularWeight: 658.22452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48ClN3O7/c36-29-23-24-31(37-26-29)39-35(44)38-30(20-17-22-32(41)45-27-28-18-13-12-14-19-28)34(43)46-33(42)21-15-10-8-6-4-2-1-3-5-7-9-11-16-25-40/h12-14,18-19,23-26,30H,1-11,15-17,20-22,27H2,(H2,37,38,39,44)