O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(quinolin-8-ylsulfonylamino)hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-(quinolin-8-ylsulfonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-(8-quinolylsulfonylamino)hexanedioate CAS Name: 2-(8-quinolinylsulfonylamino)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-(quinolin-8-ylsulfonylamino)hexanedioate Traditional Name: 2-(8-quinolylsulfonylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C38H53N3O7S MolecularWeight: 695.90832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C38H53N3O7S/c1-2-3-4-5-6-7-8-9-10-11-15-23-32(28-35(39)42)48-36(43)26-17-24-33(38(44)47-29-30-19-13-12-14-20-30)41-49(45,46)34-25-16-21-31-22-18-27-40-37(31)34/h12-14,16,18-22,25,27,32-33,41H,2-11,15,17,23-24,26,28-29H2,1H3,(H2,39,42)