Chemical Component Summary

NameN-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Identifiers[(3R)-4-[[3-(heptylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
FormulaC16 H33 N2 O7 P
Molecular Weight396.416
TypeNON-POLYMER
Isomeric SMILESCCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
InChIInChI=1S/C16H33N2O7P/c1-4-5-6-7-8-10-17-13(19)9-11-18-15(21)14(20)16(2,3)12-25-26(22,23)24/h14,20H,4-12H2,1-3H3,(H,17,19)(H,18,21)(H2,22,23,24)/t14-/m0/s1
InChIKeyQTSWMJJVYAHWSJ-AWEZNQCLSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count1
Bond Count58
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 77068212