2-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-N-[15-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypentadecyl]-N-octadecyl-ethanamide

Systemtic Name: 2-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-N-[15-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypentadecyl]-N-octadecyl-ethanamide Openeye Name: 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-N-octadecyl-N-[15-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentadecyl]acetamide CAS Name: 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-N-octadecyl-N-[15-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]pentadecyl]acetamide IUPAC Name: 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-N-octadecyl-N-[15-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentadecyl]acetamide Traditional Name: 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-N-stearyl-N-[15-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypentadecyl]acetamide Formula: C51H105N5O7 MolecularWeight: 900.4087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O)C(=O)CNCCCNCCCCNCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)CNCCCNCCCCNCCCN

InChI

InChI=1S/C51H105N5O7/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-22-25-30-41-56(47(58)44-55-40-34-39-54-37-29-28-36-53-38-33-35-52)42-31-26-23-20-17-14-12-15-18-21-24-27-32-43-62-51-50(61)49(60)48(59)46(45-57)63-51/h46,48-51,53-55,57,59-61H,2-45,52H2,1H3/t46-,48-,49+,50+,51+/m1/s1