CID 506638

L-prolinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-n-[(1s)-1-formylpropyl]-, (4r)-

Structural Information

Molecular Formula
C30H43N7O7
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C2=NC=CN=C2)OCC3=C(ON=C3C)C
InChI
InChI=1S/C30H43N7O7/c1-8-20(14-38)33-28(40)24-11-21(43-15-22-18(6)36-44-19(22)7)13-37(24)30(42)26(17(4)5)35-29(41)25(16(2)3)34-27(39)23-12-31-9-10-32-23/h9-10,12,14,16-17,20-21,24-26H,8,11,13,15H2,1-7H3,(H,33,40)(H,34,39)(H,35,41)/t20-,21+,24-,25-,26-/m0/s1
InChIKey
PBEIQGQYJYZZLU-ZLPRUYCRSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[(2S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

613.3224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.32968 244.1
[M+Na]+ 636.31162 240.7
[M-H]- 612.31512 249.8
[M+NH4]+ 631.35622 241.2
[M+K]+ 652.28556 242.9
[M+H-H2O]+ 596.31966 234.1
[M+HCOO]- 658.32060 254.0
[M+CH3COO]- 672.33625 272.8
[M+Na-2H]- 634.29707 232.9
[M]+ 613.32185 248.0
[M]- 613.32295 248.0
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.