CID 456019

L-val-ome pen(co)2 deriv.

Structural Information

Molecular Formula
C19H34N2O6
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)CCCCCC(=O)N[C@@H](C(C)C)C(=O)OC
InChI
InChI=1S/C19H34N2O6/c1-12(2)16(18(24)26-5)20-14(22)10-8-7-9-11-15(23)21-17(13(3)4)19(25)27-6/h12-13,16-17H,7-11H2,1-6H3,(H,20,22)(H,21,23)/t16-,17-/m0/s1
InChIKey
ACZPOQRAZJXHLE-IRXDYDNUSA-N
Compound name
methyl (2S)-2-[[7-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-7-oxoheptanoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2417 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24898 206.1
[M+Na]+ 409.23092 219.4
[M-H]- 385.23442 212.6
[M+NH4]+ 404.27552 218.1
[M+K]+ 425.20486 213.9
[M+H-H2O]+ 369.23896 191.0
[M+HCOO]- 431.23990 202.2
[M+CH3COO]- 445.25555 229.1
[M+Na-2H]- 407.21637 189.9
[M]+ 386.24115 203.2
[M]- 386.24225 203.2
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.