CID 480343

Tert-butyl n-[(1s,2r)-3-[(5-azido-2,2-dimethyl-pentyl)-(4-methoxyphenyl)sulfonyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate

Structural Information

Molecular Formula
C29H43N5O6S
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN(CC(C)(C)CCCN=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C29H43N5O6S/c1-28(2,3)40-27(36)32-25(19-22-11-8-7-9-12-22)26(35)20-34(21-29(4,5)17-10-18-31-33-30)41(37,38)24-15-13-23(39-6)14-16-24/h7-9,11-16,25-26,35H,10,17-21H2,1-6H3,(H,32,36)/t25-,26+/m0/s1
InChIKey
GFFOZNLSOACCNR-IZZNHLLZSA-N
Compound name
tert-butyl N-[(2S,3R)-4-[(5-azido-2,2-dimethylpentyl)-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.2934 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.30068 237.9
[M+Na]+ 612.28262 250.4
[M-H]- 588.28612 245.6
[M+NH4]+ 607.32722 247.5
[M+K]+ 628.25656 228.0
[M+H-H2O]+ 572.29066 231.1
[M+HCOO]- 634.29160 249.9
[M+CH3COO]- 648.30725 261.5
[M+Na-2H]- 610.26807 244.1
[M]+ 589.29285 230.8
[M]- 589.29395 230.8
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.