methyl 3-[3-azanyl-1-(2-dodecylphenyl)-2-oxidanyl-3-oxidanylidene-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-azanyl-1-(2-dodecylphenyl)-2-oxidanyl-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-amino-1-(2-dodecylphenyl)-2-hydroxy-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-amino-1-(2-dodecylphenyl)-2-hydroxy-3-oxopropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-amino-1-(2-dodecylphenyl)-2-hydroxy-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-amino-2-hydroxy-3-keto-1-(2-laurylphenyl)propyl]thio]propionic acid methyl ester Formula: C25H41NO4S MolecularWeight: 451.66234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(C(=O)N)O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(C(=O)N)O)SCCC(=O)OC

InChI

InChI=1S/C25H41NO4S/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)24(23(28)25(26)29)31-19-18-22(27)30-2/h13-14,16-17,23-24,28H,3-12,15,18-19H2,1-2H3,(H2,26,29)