CID 49768260

Tert-butyl n-[3-isopropyl-2-oxo-1-[(1s)-2-oxo-1-phenyl-2-[[(1r)-1-(trimethyl[?]yl)propyl]amino]ethyl]pyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C33H50BN3O6
SMILES
B1(OC2CC3CC(C3(C)C)C2(O1)C)[C@H](CC)NC(=O)[C@H](C4=CC=CC=C4)N5CCC(C5=O)(C(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C33H50BN3O6/c1-10-25(34-42-24-19-22-18-23(31(22,7)8)32(24,9)43-34)35-27(38)26(21-14-12-11-13-15-21)37-17-16-33(20(2)3,28(37)39)36-29(40)41-30(4,5)6/h11-15,20,22-26H,10,16-19H2,1-9H3,(H,35,38)(H,36,40)/t22?,23?,24?,25-,26-,32?,33?/m0/s1
InChIKey
WHMPSEWDZPNRRH-IEPTUDKYSA-N
Compound name
tert-butyl N-[2-oxo-1-[(1S)-2-oxo-1-phenyl-2-[[(1R)-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)propyl]amino]ethyl]-3-propan-2-ylpyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

595.3793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.38658 254.2
[M+Na]+ 618.36852 249.6
[M-H]- 594.37202 258.2
[M+NH4]+ 613.41312 258.6
[M+K]+ 634.34246 254.5
[M+H-H2O]+ 578.37656 244.8
[M+HCOO]- 640.37750 252.6
[M+CH3COO]- 654.39315 269.7
[M+Na-2H]- 616.35397 249.9
[M]+ 595.37875 267.0
[M]- 595.37985 267.0
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.