CID 159687083

(2s,4r)-1-[(2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C26H30N2O6
SMILES
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H30N2O6/c1-26(2,3)22(23(30)28-13-15(29)12-21(28)24(31)32)27-25(33)34-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-22,29H,12-14H2,1-3H3,(H,27,33)(H,31,32)/t15-,21+,22-/m1/s1
InChIKey
MVXYXPLSFDGMJG-KBJGYGKASA-N
Compound name
(2S,4R)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2104 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.21768 211.6
[M+Na]+ 489.19962 213.5
[M-H]- 465.20312 215.8
[M+NH4]+ 484.24422 221.8
[M+K]+ 505.17356 211.0
[M+H-H2O]+ 449.20766 205.5
[M+HCOO]- 511.20860 222.5
[M+CH3COO]- 525.22425 233.6
[M+Na-2H]- 487.18507 207.4
[M]+ 466.20985 212.1
[M]- 466.21095 212.1
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

patents stripe