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]+ 575.286376 239.1
[M+Na]+ 597.268318 237.4
[M-H]- 573.271824 249.4
[M+NH4]+ 592.312923 240.0
[M+K]+ 613.242258 236.5
[M+H-H2O]+ 557.276360 228.4
[M+HCOO]- 619.277301 252.9
[M+CH3COO]- 633.292951 260.8
[M+Na-2H]- 595.253766 229.3
[M]+ 574.27855142 241.5
[M]- 574.27964858 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.