CID 3013736

(2s)-6-{[(benzyloxy)carbonyl]amino}-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

Structural Information

Molecular Formula
C29H30N2O6
SMILES
C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H30N2O6/c32-27(33)26(16-8-9-17-30-28(34)36-18-20-10-2-1-3-11-20)31-29(35)37-19-25-23-14-6-4-12-21(23)22-13-5-7-15-24(22)25/h1-7,10-15,25-26H,8-9,16-19H2,(H,30,34)(H,31,35)(H,32,33)/t26-/m0/s1
InChIKey
KRULQRVJXQQPQH-SANMLTNESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

185
Patents

502.2104 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.21768 219.4
[M+Na]+ 525.19962 219.5
[M-H]- 501.20312 224.7
[M+NH4]+ 520.24422 227.0
[M+K]+ 541.17356 216.2
[M+H-H2O]+ 485.20766 209.7
[M+HCOO]- 547.20860 236.6
[M+CH3COO]- 561.22425 243.2
[M+Na-2H]- 523.18507 218.8
[M]+ 502.20985 222.7
[M]- 502.21095 222.7
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.