CID 10368303

159680-21-4

Structural Information

Molecular Formula
C27H26N2O5S
SMILES
C1=CC=C(C=C1)CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H26N2O5S/c30-25(14-18-8-2-1-3-9-18)28-17-35-16-24(26(31)32)29-27(33)34-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,30)(H,29,33)(H,31,32)/t24-/m0/s1
InChIKey
UBFAZPXACZPNQB-DEOSSOPVSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.15625 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.16353 213.9
[M+Na]+ 513.14547 222.1
[M+NH4]+ 508.19007 219.2
[M+K]+ 529.11941 216.1
[M-H]- 489.14897 217.0
[M+Na-2H]- 511.13092 218.0
[M]+ 490.15570 216.0
[M]- 490.15680 216.0
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.