CID 491282

L-tryptophan, n-[[1-cyclopentyl-2-(3-furanyl)-1h-benzimidazol-5-yl]carbonyl]-5-hydroxy-

Structural Information

Molecular Formula
C28H26N4O5
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=COC=C6
InChI
InChI=1S/C28H26N4O5/c33-20-6-7-22-21(13-20)18(14-29-22)12-24(28(35)36)31-27(34)16-5-8-25-23(11-16)30-26(17-9-10-37-15-17)32(25)19-3-1-2-4-19/h5-11,13-15,19,24,29,33H,1-4,12H2,(H,31,34)(H,35,36)/t24-/m0/s1
InChIKey
FCKKTLYWNUQSHF-DEOSSOPVSA-N
Compound name
(2S)-2-[[1-cyclopentyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1903 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.19758 207.7
[M+Na]+ 521.17952 212.2
[M-H]- 497.18302 218.8
[M+NH4]+ 516.22412 215.3
[M+K]+ 537.15346 209.0
[M+H-H2O]+ 481.18756 201.4
[M+HCOO]- 543.18850 222.7
[M+CH3COO]- 557.20415 215.3
[M+Na-2H]- 519.16497 201.5
[M]+ 498.18975 210.1
[M]- 498.19085 210.1
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

No patent data available for this compound.