methyl (2S)-2-azanyl-3-[2-heptadecyl-4-methoxy-3,6-bis(oxidanyl)phenyl]sulfanyl-propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[2-heptadecyl-4-methoxy-3,6-bis(oxidanyl)phenyl]sulfanyl-propanoate Openeye Name: methyl (2S)-2-amino-3-(2-heptadecyl-3,6-dihydroxy-4-methoxy-phenyl)sulfanyl-propanoate CAS Name: (2S)-2-amino-3-[(2-heptadecyl-3,6-dihydroxy-4-methoxyphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-(2-heptadecyl-3,6-dihydroxy-4-methoxyphenyl)sulfanylpropanoate Traditional Name: (2S)-2-amino-3-[(2-heptadecyl-3,6-dihydroxy-4-methoxy-phenyl)thio]propionic acid methyl ester Formula: C28H49NO5S MolecularWeight: 511.75736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1SCC(C(=O)OC)N)O)OC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1SC[C@H](C(=O)OC)N)O)OC)O

InChI

InChI=1S/C28H49NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(31)25(33-2)20-24(30)27(22)35-21-23(29)28(32)34-3/h20,23,30-31H,4-19,21,29H2,1-3H3/t23-/m1/s1