6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-(naphthalene-1-carbonylamino)-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[1-naphthalenyl(oxo)methyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-(naphthalene-1-carbonylamino)-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-(1-naphthoylamino)hexanoic acid Formula: C33H48N2O6 MolecularWeight: 568.74402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C33H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-19-26(24-30(34)36)41-33(40)29(22-16-23-31(37)38)35-32(39)28-21-15-18-25-17-13-14-20-27(25)28/h13-15,17-18,20-21,26,29H,2-12,16,19,22-24H2,1H3,(H2,34,36)(H,35,39)(H,37,38)