CID 482043

(2-hydroxy-1-methyl-cyclopentyl) 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(CCCC1O)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(39)34-24(18-22-12-7-5-8-13-22)26(36)20-33-21-27(37)25(19-23-14-9-6-10-15-23)35-30(40)42-32(4)17-11-16-28(32)38/h5-10,12-15,24-28,33,36-38H,11,16-21H2,1-4H3,(H,34,39)(H,35,40)/t24-,25-,26+,27+,28?,32?/m0/s1
InChIKey
HIEHYGBEHVIYHG-BOVXZYKESA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-hydroxy-1-methylcyclopentyl)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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.34871 238.8
[M+Na]+ 608.33065 232.4
[M-H]- 584.33415 241.7
[M+NH4]+ 603.37525 241.1
[M+K]+ 624.30459 232.7
[M+H-H2O]+ 568.33869 230.6
[M+HCOO]- 630.33963 249.1
[M+CH3COO]- 644.35528 256.9
[M+Na-2H]- 606.31610 233.7
[M]+ 585.34088 236.8
[M]- 585.34198 236.8
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.