3-[3-azanyl-1-(2-dodecylphenyl)-2-oxidanyl-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-azanyl-1-(2-dodecylphenyl)-2-oxidanyl-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-amino-1-(2-dodecylphenyl)-2-hydroxy-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-amino-1-(2-dodecylphenyl)-2-hydroxy-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[3-amino-1-(2-dodecylphenyl)-2-hydroxy-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-amino-2-hydroxy-3-keto-1-(2-laurylphenyl)propyl]thio]propionic acid Formula: C24H39NO4S MolecularWeight: 437.63576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-13-16-20(19)23(22(28)24(25)29)30-18-17-21(26)27/h12-13,15-16,22-23,28H,2-11,14,17-18H2,1H3,(H2,25,29)(H,26,27)