CID 51049604

Refchem:917808

Structural Information

Molecular Formula
C17H29N3O5
SMILES
CCCNC1C(O1)C(=O)N[C@@H](C(C)CC)C(=O)N2CCC[C@@H]2C(=O)O
InChI
InChI=1S/C17H29N3O5/c1-4-8-18-15-13(25-15)14(21)19-12(10(3)5-2)16(22)20-9-6-7-11(20)17(23)24/h10-13,15,18H,4-9H2,1-3H3,(H,19,21)(H,23,24)/t10?,11-,12+,13?,15?/m1/s1
InChIKey
VPFNOFSJVAOADU-JARZNLENSA-N
Compound name
(2R)-1-[(2S)-3-methyl-2-[[3-(propylamino)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

67
References

0
Patents

355.21072 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.21800 182.9
[M+Na]+ 378.19994 185.9
[M-H]- 354.20344 187.4
[M+NH4]+ 373.24454 188.8
[M+K]+ 394.17388 183.6
[M+H-H2O]+ 338.20798 175.8
[M+HCOO]- 400.20892 198.0
[M+CH3COO]- 414.22457 220.4
[M+Na-2H]- 376.18539 178.4
[M]+ 355.21017 185.6
[M]- 355.21127 185.6
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.