CID 481885

(1-methylcyclopentyl) 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
C32H47N3O6
SMILES
CC1(CCCC1)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/C32H47N3O6/c1-31(2,3)40-29(38)34-25(19-23-13-7-5-8-14-23)27(36)21-33-22-28(37)26(20-24-15-9-6-10-16-24)35-30(39)41-32(4)17-11-12-18-32/h5-10,13-16,25-28,33,36-37H,11-12,17-22H2,1-4H3,(H,34,38)(H,35,39)/t25-,26-,27+,28+/m0/s1
InChIKey
HPBCPWCFZKYMBM-YVHASNINSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(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

569.3465 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.35378 237.6
[M+Na]+ 592.33572 231.1
[M-H]- 568.33922 241.5
[M+NH4]+ 587.38032 241.1
[M+K]+ 608.30966 230.8
[M+H-H2O]+ 552.34376 228.9
[M+HCOO]- 614.34470 249.2
[M+CH3COO]- 628.36035 255.1
[M+Na-2H]- 590.32117 232.9
[M]+ 569.34595 235.5
[M]- 569.34705 235.5
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.