CID 3078466

H-leu-pro-pro-oh

Structural Information

Molecular Formula
C16H27N3O4
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)N
InChI
InChI=1S/C16H27N3O4/c1-10(2)9-11(17)14(20)18-7-3-5-12(18)15(21)19-8-4-6-13(19)16(22)23/h10-13H,3-9,17H2,1-2H3,(H,22,23)/t11-,12-,13-/m0/s1
InChIKey
DPURXCQCHSQPAN-AVGNSLFASA-N
Compound name
(2S)-1-[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

38591
Patents

325.20016 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.20744 180.6
[M+Na]+ 348.18938 181.6
[M-H]- 324.19288 182.0
[M+NH4]+ 343.23398 193.5
[M+K]+ 364.16332 180.7
[M+H-H2O]+ 308.19742 173.1
[M+HCOO]- 370.19836 192.8
[M+CH3COO]- 384.21401 208.4
[M+Na-2H]- 346.17483 171.3
[M]+ 325.19961 174.9
[M]- 325.20071 174.9
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

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