CID 16076034

D-prolinamide, n-[(1,1-dimethylethoxy)carbonyl]-3-methyl-l-valyl-n-[(1s)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-1-methyl-3-butenyl]-4-[(6-fluoro-4-quinolinyl)oxy]-, (4r)-

Structural Information

Molecular Formula
C34H46FN5O8S
SMILES
C[C@](CC=C)(C(=O)NS(=O)(=O)C1CC1)NC(=O)[C@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)OC3=C4C=C(C=CC4=NC=C3)F
InChI
InChI=1S/C34H46FN5O8S/c1-9-15-34(8,30(43)39-49(45,46)22-11-12-22)38-28(41)25-18-21(47-26-14-16-36-24-13-10-20(35)17-23(24)26)19-40(25)29(42)27(32(2,3)4)37-31(44)48-33(5,6)7/h9-10,13-14,16-17,21-22,25,27H,1,11-12,15,18-19H2,2-8H3,(H,37,44)(H,38,41)(H,39,43)/t21-,25-,27-,34+/m1/s1
InChIKey
RNFIAOVNVZVEEL-UXYKNFDHSA-N
Compound name
tert-butyl N-[(2S)-1-[(2R,4R)-2-[[(2S)-1-(cyclopropylsulfonylamino)-2-methyl-1-oxopent-4-en-2-yl]carbamoyl]-4-(6-fluoroquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

703.3051 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.31238 247.3
[M+Na]+ 726.29432 245.2
[M-H]- 702.29782 251.5
[M+NH4]+ 721.33892 240.6
[M+K]+ 742.26826 242.9
[M+H-H2O]+ 686.30236 241.7
[M+HCOO]- 748.30330 249.4
[M+CH3COO]- 762.31895 280.2
[M+Na-2H]- 724.27977 249.2
[M]+ 703.30455 253.8
[M]- 703.30565 253.8
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.