CID 60042710

Fmoc-3vvd-oh

Structural Information

Molecular Formula
C36H51N3O7
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C36H51N3O7/c1-10-23(6)33(29(45-9)19-30(40)41)38(7)35(43)31(21(2)3)37-34(42)32(22(4)5)39(8)36(44)46-20-28-26-17-13-11-15-24(26)25-16-12-14-18-27(25)28/h11-18,21-23,28-29,31-33H,10,19-20H2,1-9H3,(H,37,42)(H,40,41)/t23-,29+,31-,32-,33-/m0/s1
InChIKey
SMVBIYSFDNRJJI-FCUBIXSHSA-N
Compound name
(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

637.3727 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.37998 245.4
[M+Na]+ 660.36192 245.0
[M+NH4]+ 655.40652 280.4
[M+K]+ 676.33586 248.2
[M-H]- 636.36542 243.2
[M+Na-2H]- 658.34737 241.3
[M]+ 637.37215 243.7
[M]- 637.37325 243.7
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

patents stripe