N-[(2S)-1-[[(2S,3R)-1-[1,3-bis(oxidanyl)propan-2-ylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2,4-dimethyl-3,5-bis(oxidanyl)octadecanamide

Systemtic Name: N-[(2S)-1-[[(2S,3R)-1-[1,3-bis(oxidanyl)propan-2-ylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2,4-dimethyl-3,5-bis(oxidanyl)octadecanamide Openeye Name: 3,5-dihydroxy-N-[(1S)-1-[[(1S,2R)-2-hydroxy-1-[[2-hydroxy-1-(hydroxymethyl)ethyl]carbamoyl]propyl]carbamoyl]-2-methyl-propyl]-2,4-dimethyl-octadecanamide CAS Name: N-[(2S)-1-[[(2S,3R)-1-(1,3-dihydroxypropan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dihydroxy-2,4-dimethyloctadecanamide IUPAC Name: N-[(2S)-1-[[(2S,3R)-1-(1,3-dihydroxypropan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dihydroxy-2,4-dimethyloctadecanamide Traditional Name: 3,5-dihydroxy-N-[(1S)-1-[[(1S,2R)-2-hydroxy-1-[(2-hydroxy-1-methylol-ethyl)carbamoyl]propyl]carbamoyl]-2-methyl-propyl]-2,4-dimethyl-stearamide Formula: C32H63N3O8 MolecularWeight: 617.85792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)C(C(C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(C(C)C(C(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(CO)CO)O)O

InChI

InChI=1S/C32H63N3O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-26(39)22(4)29(40)23(5)30(41)34-27(21(2)3)31(42)35-28(24(6)38)32(43)33-25(19-36)20-37/h21-29,36-40H,7-20H2,1-6H3,(H,33,43)(H,34,41)(H,35,42)/t22?,23?,24-,26?,27+,28+,29?/m1/s1