CID 506811

L-prolinamide, n-[(5-methyl-1-phenyl-1h-pyrazol-4-yl)carbonyl]-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C32H39N5O5
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)OCC4=CC=CC=C4
InChI
InChI=1S/C32H39N5O5/c1-5-24(19-38)34-31(40)28-16-26(42-20-23-12-8-6-9-13-23)18-36(28)32(41)29(21(2)3)35-30(39)27-17-33-37(22(27)4)25-14-10-7-11-15-25/h6-15,17,19,21,24,26,28-29H,5,16,18,20H2,1-4H3,(H,34,40)(H,35,39)/t24-,26+,28-,29-/m0/s1
InChIKey
QUOUIRZHMBMPRW-UMJMOSFWSA-N
Compound name
5-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]-1-phenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.2951 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.30238 236.5
[M+Na]+ 596.28432 234.8
[M-H]- 572.28782 245.1
[M+NH4]+ 591.32892 237.6
[M+K]+ 612.25826 232.2
[M+H-H2O]+ 556.29236 225.0
[M+HCOO]- 618.29330 250.0
[M+CH3COO]- 632.30895 260.6
[M+Na-2H]- 594.26977 226.7
[M]+ 573.29455 237.6
[M]- 573.29565 237.6
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.