CID 506773

L-prolinamide, n-(1-oxopropyl)-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C24H35N3O5
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)CC)OCC2=CC=CC=C2
InChI
InChI=1S/C24H35N3O5/c1-5-18(14-28)25-23(30)20-12-19(32-15-17-10-8-7-9-11-17)13-27(20)24(31)22(16(3)4)26-21(29)6-2/h7-11,14,16,18-20,22H,5-6,12-13,15H2,1-4H3,(H,25,30)(H,26,29)/t18-,19+,20-,22-/m0/s1
InChIKey
GTGBEVMMOYCJID-IIZPIQPGSA-N
Compound name
(2S,4R)-1-[(2S)-3-methyl-2-(propanoylamino)butanoyl]-N-[(2S)-1-oxobutan-2-yl]-4-phenylmethoxypyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.25766 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.26494 211.0
[M+Na]+ 468.24688 210.0
[M-H]- 444.25038 214.7
[M+NH4]+ 463.29148 219.0
[M+K]+ 484.22082 208.8
[M+H-H2O]+ 428.25492 201.8
[M+HCOO]- 490.25586 226.5
[M+CH3COO]- 504.27151 238.0
[M+Na-2H]- 466.23233 203.0
[M]+ 445.25711 211.8
[M]- 445.25821 211.8
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.