CID 75534971

1202003-49-3

Structural Information

Molecular Formula
C27H34N2O6
SMILES
C[C@](CCCCNC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H34N2O6/c1-26(2,3)35-24(32)28-16-10-9-15-27(4,23(30)31)29-25(33)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22H,9-10,15-17H2,1-4H3,(H,28,32)(H,29,33)(H,30,31)/t27-/m0/s1
InChIKey
MYQXEVZHWDILHG-MHZLTWQESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.2417 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.24898 218.2
[M+Na]+ 505.23092 219.4
[M-H]- 481.23442 220.8
[M+NH4]+ 500.27552 227.8
[M+K]+ 521.20486 217.4
[M+H-H2O]+ 465.23896 211.3
[M+HCOO]- 527.23990 232.7
[M+CH3COO]- 541.25555 240.5
[M+Na-2H]- 503.21637 220.2
[M]+ 482.24115 223.3
[M]- 482.24225 223.3
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.