CID 11563365

Tp-104

Structural Information

Molecular Formula
C35H37N3O6
SMILES
CC(C)[C@@H](C(=O)NC(CC1=CC=C(C=C1)O)C=O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-27(21-39)18-23-10-14-28(40)15-11-23)38-34(43)31(19-24-12-16-29(41)17-13-24)37-32(42)20-26-8-5-7-25-6-3-4-9-30(25)26/h3-17,21-22,27,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t27?,31-,33-/m0/s1
InChIKey
BOKINRZKCHWTCT-ODYHTTIYSA-N
Compound name
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

595.26825 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.27553 243.4
[M+Na]+ 618.25747 250.5
[M+NH4]+ 613.30207 245.0
[M+K]+ 634.23141 246.2
[M-H]- 594.26097 247.3
[M+Na-2H]- 616.24292 247.3
[M]+ 595.26770 244.8
[M]- 595.26880 244.8
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

No patent data available for this compound.