N-[[5-azanyl-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl]-N-octadecyl-undec-10-ynamide

Systemtic Name: N-[[5-azanyl-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl]-N-octadecyl-undec-10-ynamide Openeye Name: N-[(5-amino-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl]-N-octadecyl-undec-10-ynamide CAS Name: N-[(5-amino-3,4-dihydroxy-6-methoxy-2-oxanyl)methyl]-N-octadecyl-10-undecynamide IUPAC Name: N-[(5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl)methyl]-N-octadecylundec-10-ynamide Traditional Name: N-[(5-amino-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl]-N-stearyl-undec-10-ynamide Formula: C36H68N2O5 MolecularWeight: 608.93552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC1C(C(C(C(O1)OC)N)O)O)C(=O)CCCCCCCCC#C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC1C(C(C(C(O1)OC)N)O)O)C(=O)CCCCCCCCC#C

InChI

InChI=1S/C36H68N2O5/c1-4-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-38(32(39)28-26-24-22-13-11-9-7-5-2)30-31-34(40)35(41)33(37)36(42-3)43-31/h2,31,33-36,40-41H,4,6-30,37H2,1,3H3