(2-azanyl-4-methylsulfanyl-butanoyl) dodecanoate; 2,6-bis(azanyl)hexanoic acid

Systemtic Name: (2-azanyl-4-methylsulfanyl-butanoyl) dodecanoate; 2,6-bis(azanyl)hexanoic acid Openeye Name: (2-amino-4-methylsulfanyl-butanoyl) dodecanoate; 2,6-diaminohexanoic acid CAS Name: 2,6-diaminohexanoic acid; dodecanoic acid [2-amino-4-(methylthio)-1-oxobutyl] ester IUPAC Name: (2-amino-4-methylsulfanylbutanoyl) dodecanoate; 2,6-diaminohexanoic acid Traditional Name: 2,6-diaminohexanoic acid; lauric acid [2-amino-4-(methylthio)butanoyl] ester Formula: C23H47N3O5S MolecularWeight: 477.70138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(=O)C(CCSC)N.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(=O)C(CCSC)N.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C17H33NO3S.C6H14N2O2/c1-3-4-5-6-7-8-9-10-11-12-16(19)21-17(20)15(18)13-14-22-2;7-4-2-1-3-5(8)6(9)10/h15H,3-14,18H2,1-2H3;5H,1-4,7-8H2,(H,9,10)