2-azanyl-3,3-bis(oxidanyl)-2-(4-pentadecylphenyl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3,3-bis(oxidanyl)-2-(4-pentadecylphenyl)-3-sulfanyl-propanoic acid Openeye Name: 2-amino-3,3-dihydroxy-2-(4-pentadecylphenyl)-3-sulfanyl-propanoic acid CAS Name: 2-amino-3,3-dihydroxy-3-mercapto-2-(4-pentadecylphenyl)propanoic acid IUPAC Name: 2-amino-3,3-dihydroxy-2-(4-pentadecylphenyl)-3-sulfanylpropanoic acid Traditional Name: 2-amino-3,3-dihydroxy-3-mercapto-2-(4-pentadecylphenyl)propionic acid Formula: C24H41NO4S MolecularWeight: 439.65164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(C(=O)O)(C(O)(O)S)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(C(=O)O)(C(O)(O)S)N

InChI

InChI=1S/C24H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21(19-17-20)23(25,22(26)27)24(28,29)30/h16-19,28-30H,2-15,25H2,1H3,(H,26,27)