6-[(2R)-3-[[(2S)-1-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]hexanoic acid

Systemtic Name: 6-[(2R)-3-[[(2S)-1-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]hexanoic acid Openeye Name: 6-[(2R)-3-[[(1S)-1-(aminomethyl)-3-hydroxy-3-oxo-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]hexanoic acid CAS Name: 6-[(2R)-3-[[(2S)-1-amino-4-hydroxy-4-oxobutan-2-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]hexanoic acid IUPAC Name: 6-[(2R)-3-[[(2S)-1-amino-4-hydroxy-4-oxobutan-2-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]hexanoic acid Traditional Name: 6-[(2R)-3-[[(1S)-1-(aminomethyl)-3-hydroxy-3-keto-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]hexanoic acid Formula: C13H26NO10P MolecularWeight: 387.320001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CCOCC(COP(=O)(O)OC(CC(=O)O)CN)O

Isomeric SMILES

C(CCC(=O)O)CCOC[C@H](COP(=O)(O)O[C@@H](CC(=O)O)CN)O

InChI

InChI=1S/C13H26NO10P/c14-7-11(6-13(18)19)24-25(20,21)23-9-10(15)8-22-5-3-1-2-4-12(16)17/h10-11,15H,1-9,14H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11+/m1/s1