CID 481887

(4-methyltetrahydropyran-4-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
C32H47N3O7
SMILES
CC1(CCOCC1)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/C32H47N3O7/c1-31(2,3)41-29(38)34-25(19-23-11-7-5-8-12-23)27(36)21-33-22-28(37)26(20-24-13-9-6-10-14-24)35-30(39)42-32(4)15-17-40-18-16-32/h5-14,25-28,33,36-37H,15-22H2,1-4H3,(H,34,38)(H,35,39)/t25-,26-,27+,28+/m0/s1
InChIKey
CJPIDAWSCCYUTE-YVHASNINSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(4-methyloxan-4-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.34143 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.34871 240.8
[M+Na]+ 608.33065 233.6
[M-H]- 584.33415 244.4
[M+NH4]+ 603.37525 240.2
[M+K]+ 624.30459 235.3
[M+H-H2O]+ 568.33869 230.8
[M+HCOO]- 630.33963 249.4
[M+CH3COO]- 644.35528 258.9
[M+Na-2H]- 606.31610 238.1
[M]+ 585.34088 238.5
[M]- 585.34198 238.5
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.