(5S)-6-methoxy-5-[[(3S)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (5S)-6-methoxy-5-[[(3S)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: (5S)-5-[[(3S)-3-hydroxy-15-methyl-hexadecanoyl]amino]-6-methoxy-6-oxo-hexanoic acid CAS Name: (5S)-5-[[(3S)-3-hydroxy-15-methyl-1-oxohexadecyl]amino]-6-methoxy-6-oxohexanoic acid IUPAC Name: (5S)-5-[[(3S)-3-hydroxy-15-methylhexadecanoyl]amino]-6-methoxy-6-oxohexanoic acid Traditional Name: (5S)-5-[[(3S)-3-hydroxy-15-methyl-hexadecanoyl]amino]-6-keto-6-methoxy-hexanoic acid Formula: C24H45NO6 MolecularWeight: 443.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NC(CCCC(=O)O)C(=O)OC)O

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@@H](CC(=O)N[C@@H](CCCC(=O)O)C(=O)OC)O

InChI

InChI=1S/C24H45NO6/c1-19(2)14-11-9-7-5-4-6-8-10-12-15-20(26)18-22(27)25-21(24(30)31-3)16-13-17-23(28)29/h19-21,26H,4-18H2,1-3H3,(H,25,27)(H,28,29)/t20-,21-/m0/s1