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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1CC(C(=O)N)(O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1CC(C(=O)N)(O)SCCC(=O)OC

InChI

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