4-[[4-dodecylsulfanyl-6-[(4-oxidanyl-4-oxidanylidene-butyl)amino]-1,3,5-triazin-2-yl]amino]butanoic acid

Systemtic Name: 4-[[4-dodecylsulfanyl-6-[(4-oxidanyl-4-oxidanylidene-butyl)amino]-1,3,5-triazin-2-yl]amino]butanoic acid Openeye Name: 4-[[4-dodecylsulfanyl-6-[(4-hydroxy-4-oxo-butyl)amino]-1,3,5-triazin-2-yl]amino]butanoic acid CAS Name: 4-[[4-(dodecylthio)-6-[(4-hydroxy-4-oxobutyl)amino]-1,3,5-triazin-2-yl]amino]butanoic acid IUPAC Name: 4-[[4-dodecylsulfanyl-6-[(4-hydroxy-4-oxobutyl)amino]-1,3,5-triazin-2-yl]amino]butanoic acid Traditional Name: 4-[[4-[(4-hydroxy-4-keto-butyl)amino]-6-(laurylthio)-s-triazin-2-yl]amino]butyric acid Formula: C23H41N5O4S MolecularWeight: 483.66774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=N1)NCCCC(=O)O)NCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=N1)NCCCC(=O)O)NCCCC(=O)O

InChI

InChI=1S/C23H41N5O4S/c1-2-3-4-5-6-7-8-9-10-11-18-33-23-27-21(24-16-12-14-19(29)30)26-22(28-23)25-17-13-15-20(31)32/h2-18H2,1H3,(H,29,30)(H,31,32)(H2,24,25,26,27,28)