CID 10676974

Fmoc-tic-gser-tic-fmoc

Structural Information

Molecular Formula
C52H46N4O7
SMILES
C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)NC(CO)NC(=O)[C@@H]6CC7=CC=CC=C7CN6C(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81
InChI
InChI=1S/C52H46N4O7/c57-29-48(53-49(58)46-25-32-13-1-3-15-34(32)27-55(46)51(60)62-30-44-40-21-9-5-17-36(40)37-18-6-10-22-41(37)44)54-50(59)47-26-33-14-2-4-16-35(33)28-56(47)52(61)63-31-45-42-23-11-7-19-38(42)39-20-8-12-24-43(39)45/h1-24,44-48,57H,25-31H2,(H,53,58)(H,54,59)/t46-,47-/m0/s1
InChIKey
WMRISYWTMURHHW-MVRBIKRMSA-N
Compound name
9H-fluoren-9-ylmethyl (3S)-3-[[1-[[(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-hydroxyethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

838.3367 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.34398 258.5
[M+Na]+ 861.32592 251.6
[M-H]- 837.32942 267.7
[M+NH4]+ 856.37052 252.6
[M+K]+ 877.29986 249.4
[M+H-H2O]+ 821.33396 244.6
[M+HCOO]- 883.33490 258.4
[M+CH3COO]- 897.35055 256.2
[M+Na-2H]- 859.31137 284.1
[M]+ 838.33615 255.5
[M]- 838.33725 255.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.