CID 102515195

N-acetylphosphinothricyl-l-alanyl-l-leucine

Structural Information

Molecular Formula
C16H30N3O7P
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)NC(=O)C
InChI
InChI=1S/C16H30N3O7P/c1-9(2)8-13(16(23)24)19-14(21)10(3)17-15(22)12(18-11(4)20)6-7-27(5,25)26/h9-10,12-13H,6-8H2,1-5H3,(H,17,22)(H,18,20)(H,19,21)(H,23,24)(H,25,26)/t10-,12-,13-/m0/s1
InChIKey
WOYPKYHYWGAJEK-DRZSPHRISA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

407.18213 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18941 196.5
[M+Na]+ 430.17135 207.8
[M-H]- 406.17485 207.7
[M+NH4]+ 425.21595 205.6
[M+K]+ 446.14529 200.7
[M+H-H2O]+ 390.17939 189.2
[M+HCOO]- 452.18033 190.2
[M+CH3COO]- 466.19598 230.4
[M+Na-2H]- 428.15680 188.6
[M]+ 407.18158 188.0
[M]- 407.18268 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.