CID 19816756

Tryptophylvaline

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)
InChIKey
LWFWZRANSFAJDR-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

303.1583 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 171.3
[M+Na]+ 326.14752 177.6
[M+NH4]+ 321.19212 175.6
[M+K]+ 342.12146 177.2
[M-H]- 302.15102 170.2
[M+Na-2H]- 324.13297 172.4
[M]+ 303.15775 171.1
[M]- 303.15885 171.1
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

patents stripe