(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-8-ylsulfonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-8-ylsulfonylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(8-quinolylsulfonylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-(8-quinolinylsulfonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinolin-8-ylsulfonylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(8-quinolylsulfonylamino)hexanoic acid benzyl ester Formula: C38H51N3O7S MolecularWeight: 693.89244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C38H51N3O7S/c42-29-16-11-9-7-5-3-1-2-4-6-8-10-15-26-35(43)40-38(45)33(24-18-27-36(44)48-30-31-20-13-12-14-21-31)41-49(46,47)34-25-17-22-32-23-19-28-39-37(32)34/h12-14,17,19-23,25,28-29,33,41H,1-11,15-16,18,24,26-27,30H2,(H,40,43,45)