CID 146208

Diprotin b

Structural Information

Molecular Formula
C16H29N3O4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N
InChI
InChI=1S/C16H29N3O4/c1-9(2)8-11(16(22)23)18-14(20)12-6-5-7-19(12)15(21)13(17)10(3)4/h9-13H,5-8,17H2,1-4H3,(H,18,20)(H,22,23)/t11-,12-,13-/m0/s1
InChIKey
NHXZRXLFOBFMDM-AVGNSLFASA-N
Compound name
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

17818
Patents

327.21582 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22310 182.8
[M+Na]+ 350.20504 182.7
[M-H]- 326.20854 182.0
[M+NH4]+ 345.24964 195.0
[M+K]+ 366.17898 183.0
[M+H-H2O]+ 310.21308 175.7
[M+HCOO]- 372.21402 196.0
[M+CH3COO]- 386.22967 215.0
[M+Na-2H]- 348.19049 173.8
[M]+ 327.21527 178.7
[M]- 327.21637 178.7
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

patents stripe