6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-[(5-chloro-2-pyridyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[(5-chloropyridin-2-yl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-[(5-chloro-2-pyridyl)carbamoylamino]-6-keto-hexanoic acid Formula: C28H45ClN4O6 MolecularWeight: 569.1331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC=C(C=C1)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC=C(C=C1)Cl

InChI

InChI=1S/C28H45ClN4O6/c1-2-3-4-5-6-7-8-9-10-11-12-14-22(19-24(30)34)39-27(37)23(15-13-16-26(35)36)32-28(38)33-25-18-17-21(29)20-31-25/h17-18,20,22-23H,2-16,19H2,1H3,(H2,30,34)(H,35,36)(H2,31,32,33,38)