CID 506812

L-prolinamide, n-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C32H38N4O6
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)OCC4=CC=CC=C4
InChI
InChI=1S/C32H38N4O6/c1-5-24(18-37)33-30(38)26-16-25(41-19-22-12-8-6-9-13-22)17-36(26)32(40)28(20(2)3)34-31(39)27-21(4)42-35-29(27)23-14-10-7-11-15-23/h6-15,18,20,24-26,28H,5,16-17,19H2,1-4H3,(H,33,38)(H,34,39)/t24-,25+,26-,28-/m0/s1
InChIKey
RLEKDYODEQEZRB-RVUATISTSA-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]-3-phenyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2791 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.28638 239.1
[M+Na]+ 597.26832 237.4
[M-H]- 573.27182 249.4
[M+NH4]+ 592.31292 240.0
[M+K]+ 613.24226 236.5
[M+H-H2O]+ 557.27636 228.4
[M+HCOO]- 619.27730 252.9
[M+CH3COO]- 633.29295 260.8
[M+Na-2H]- 595.25377 229.3
[M]+ 574.27855 241.5
[M]- 574.27965 241.5
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.