CID 5271851

L-prolinamide, n-(pyrazinylcarbonyl)-d-valyl-d-valyl-4-(phenylmethoxy)-n-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbonyl]propyl]-, (4r)-

Structural Information

Molecular Formula
C39H46N8O7
SMILES
CCC(C(=O)C1=NN=C(O1)C2=CC=CC=C2)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)C4=NC=CN=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C39H46N8O7/c1-6-28(33(48)38-46-45-37(54-38)26-15-11-8-12-16-26)42-35(50)30-19-27(53-22-25-13-9-7-10-14-25)21-47(30)39(52)32(24(4)5)44-36(51)31(23(2)3)43-34(49)29-20-40-17-18-41-29/h7-18,20,23-24,27-28,30-32H,6,19,21-22H2,1-5H3,(H,42,50)(H,43,49)(H,44,51)/t27-,28?,30+,31-,32-/m1/s1
InChIKey
HIZSTOSCTQXFJI-YSPTWPDASA-N
Compound name
N-[(2R)-3-methyl-1-[[(2R)-3-methyl-1-oxo-1-[(2S,4R)-2-[[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

738.34894 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 739.35622 252.1
[M+Na]+ 761.33816 256.3
[M-H]- 737.34166 251.7
[M+NH4]+ 756.38276 254.6
[M+K]+ 777.31210 248.2
[M+H-H2O]+ 721.34620 243.0
[M+HCOO]- 783.34714 255.6
[M+CH3COO]- 797.36279 290.9
[M+Na-2H]- 759.32361 264.6
[M]+ 738.34839 289.5
[M]- 738.34949 289.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.