CID 98427

(dl)-alanine, (s-trityl)-l-cysteinyl-

Structural Information

Molecular Formula
C25H26N2O3S
SMILES
CC(C(=O)O)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C25H26N2O3S/c1-18(24(29)30)27-23(28)22(26)17-31-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,26H2,1H3,(H,27,28)(H,29,30)
InChIKey
FZQYVSVNAAICAM-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-tritylsulfanylpropanoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

434.1664 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17368 202.2
[M+Na]+ 457.15562 211.5
[M+NH4]+ 452.20022 207.8
[M+K]+ 473.12956 204.4
[M-H]- 433.15912 207.1
[M+Na-2H]- 455.14107 210.6
[M]+ 434.16585 205.2
[M]- 434.16695 205.2
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