CID 6336330

4-(hydroxymethylphosphinyl)-l-2-aminobutanoyl-l-alanyl-l-leucine

Structural Information

Molecular Formula
C14H27N3O6P
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)C(CC[P+](=O)CO)N
InChI
InChI=1S/C14H26N3O6P/c1-8(2)6-11(14(21)22)17-12(19)9(3)16-13(20)10(15)4-5-24(23)7-18/h8-11,18H,4-7,15H2,1-3H3,(H2-,16,17,19,20,21,22)/p+1/t9-,10?,11-/m0/s1
InChIKey
PHPWPNCONZXSLQ-JRUYECLLSA-O
Compound name
[3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-(hydroxymethyl)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16376 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17104 184.9
[M+Na]+ 387.15298 180.8
[M+NH4]+ 382.19758 178.3
[M+K]+ 403.12692 173.3
[M-H]- 363.15648 177.9
[M+Na-2H]- 385.13843 179.6
[M]+ 364.16321 173.6
[M]- 364.16431 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.