CID 481995

(3-methyltetrahydrofuran-3-yl) n-[(1s,2r)-1-benzyl-3-[[(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate

Structural Information

Molecular Formula
C31H45N3O7
SMILES
CC1(CCOC1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C31H45N3O7/c1-30(2,3)40-28(37)33-24(17-22-11-7-5-8-12-22)26(35)19-32-20-27(36)25(18-23-13-9-6-10-14-23)34-29(38)41-31(4)15-16-39-21-31/h5-14,24-27,32,35-36H,15-21H2,1-4H3,(H,33,37)(H,34,38)/t24-,25-,26+,27+,31?/m0/s1
InChIKey
CURMHGDHJXSLRI-AFKJPHKLSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(3-methyloxolan-3-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.32574 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.33302 237.8
[M+Na]+ 594.31496 231.6
[M-H]- 570.31846 242.5
[M+NH4]+ 589.35956 239.8
[M+K]+ 610.28890 233.1
[M+H-H2O]+ 554.32300 229.0
[M+HCOO]- 616.32394 248.9
[M+CH3COO]- 630.33959 255.1
[M+Na-2H]- 592.30041 234.4
[M]+ 571.32519 237.3
[M]- 571.32629 237.3
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.