CID 3059330

N-d-phenylalanyl-d-tryptophan methyl ester hydrochloride

Structural Information

Molecular Formula
C21H23N3O3
SMILES
COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C21H23N3O3/c1-27-21(26)19(12-15-13-23-18-10-6-5-9-16(15)18)24-20(25)17(22)11-14-7-3-2-4-8-14/h2-10,13,17,19,23H,11-12,22H2,1H3,(H,24,25)/t17-,19-/m1/s1
InChIKey
WKRDIFQGZFGJAQ-IEBWSBKVSA-N
Compound name
methyl (2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.17395 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 187.8
[M+Na]+ 388.16317 196.9
[M+NH4]+ 383.20777 193.0
[M+K]+ 404.13711 193.8
[M-H]- 364.16667 190.2
[M+Na-2H]- 386.14862 192.8
[M]+ 365.17340 189.3
[M]- 365.17450 189.3
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.