methyl (5R,6S)-6-[(2R)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]sulfanyl-6-(4-octoxyphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl (5R,6S)-6-[(2R)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]sulfanyl-6-(4-octoxyphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl (5R,6S)-6-[(2R)-2-amino-3-methoxy-3-oxo-propyl]sulfanyl-5-hydroxy-6-(4-octoxyphenyl)hexanoate CAS Name: (5R,6S)-6-[[(2R)-2-amino-3-methoxy-3-oxopropyl]thio]-5-hydroxy-6-(4-octoxyphenyl)hexanoic acid methyl ester IUPAC Name: methyl (5R,6S)-6-[(2R)-2-amino-3-methoxy-3-oxopropyl]sulfanyl-5-hydroxy-6-(4-octoxyphenyl)hexanoate Traditional Name: (5R,6S)-6-[[(2R)-2-amino-3-keto-3-methoxy-propyl]thio]-5-hydroxy-6-(4-octoxyphenyl)hexanoic acid methyl ester Formula: C25H41NO6S MolecularWeight: 483.66114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO6S/c1-4-5-6-7-8-9-17-32-20-15-13-19(14-16-20)24(33-18-21(26)25(29)31-3)22(27)11-10-12-23(28)30-2/h13-16,21-22,24,27H,4-12,17-18,26H2,1-3H3/t21-,22+,24-/m0/s1