20-[2-[(2-azanyl-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid

Systemtic Name: 20-[2-[(2-azanyl-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid Openeye Name: 20-[2-[(1-amino-1-carboxy-3-methyl-butyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-decyl-icosanoic acid CAS Name: 20-[2-[(2-amino-1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-decyleicosanoic acid IUPAC Name: 20-[2-[(2-amino-1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-decylicosanoic acid Traditional Name: 20-[2-[(1-amino-1-carboxy-3-methyl-butyl)amino]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-2-decyl-arachidic acid Formula: C42H82N2O8 MolecularWeight: 743.10908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1(CC(C(C(O1)CO)O)O)NC(CC(C)C)(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1(CC(C(C(O1)CO)O)O)NC(CC(C)C)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C42H82N2O8/c1-4-5-6-7-8-19-22-25-28-35(39(48)49)29-26-23-20-17-15-13-11-9-10-12-14-16-18-21-24-27-30-41(32-36(46)38(47)37(33-45)52-41)44-42(43,40(50)51)31-34(2)3/h34-38,44-47H,4-33,43H2,1-3H3,(H,48,49)(H,50,51)