(5R,6S)-6-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-6-(4-octoxyphenyl)-5-oxidanyl-hexanoic acid

Systemtic Name: (5R,6S)-6-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-6-(4-octoxyphenyl)-5-oxidanyl-hexanoic acid Openeye Name: (5R,6S)-6-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-5-hydroxy-6-(4-octoxyphenyl)hexanoic acid CAS Name: (5R,6S)-6-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-5-hydroxy-6-(4-octoxyphenyl)hexanoic acid IUPAC Name: (5R,6S)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxy-6-(4-octoxyphenyl)hexanoic acid Traditional Name: (5R,6S)-6-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-5-hydroxy-6-(4-octoxyphenyl)hexanoic acid Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[C@@H]([C@@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C23H37NO6S/c1-2-3-4-5-6-7-15-30-18-13-11-17(12-14-18)22(31-16-19(24)23(28)29)20(25)9-8-10-21(26)27/h11-14,19-20,22,25H,2-10,15-16,24H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1