6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]carbonylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]carbonylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-[[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazine-1-carbonyl]amino]-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[[4-(3H-1,2-benzodioxol-6-ylmethyl)-1-piperazinyl]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazine-1-carbonyl]amino]-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-[[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazine-1-carbonyl]amino]-6-keto-hexanoic acid Formula: C35H56N4O8 MolecularWeight: 660.84114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)N1CCN(CC1)CC2=CC3=C(COO3)C=C2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)N1CCN(CC1)CC2=CC3=C(COO3)C=C2

InChI

InChI=1S/C35H56N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-14-29(24-32(36)40)46-34(43)30(15-13-16-33(41)42)37-35(44)39-21-19-38(20-22-39)25-27-17-18-28-26-45-47-31(28)23-27/h17-18,23,29-30H,2-16,19-22,24-26H2,1H3,(H2,36,40)(H,37,44)(H,41,42)