CID 20380880

Cysteinyl-tryptophan

Structural Information

Molecular Formula
C14H17N3O3S
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)
InChIKey
SYELGNBERZZXAG-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

307.09906 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10634 168.4
[M+Na]+ 330.08828 174.7
[M+NH4]+ 325.13288 173.4
[M+K]+ 346.06222 172.0
[M-H]- 306.09178 167.6
[M+Na-2H]- 328.07373 170.0
[M]+ 307.09851 168.9
[M]- 307.09961 168.9
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

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