CID 44390977

Tp-103

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=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C35H37N3O6/c1-22(2)33(35(44)36-28(21-39)18-23-8-13-29(40)14-9-23)38-34(43)31(19-24-10-15-30(41)16-11-24)37-32(42)20-25-7-12-26-5-3-4-6-27(26)17-25/h3-17,21-22,28,31,33,40-41H,18-20H2,1-2H3,(H,36,44)(H,37,42)(H,38,43)/t28?,31-,33-/m0/s1
InChIKey
DZFIWZFBLUWJSU-GMILHWHJSA-N
Compound name
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-naphthalen-2-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 242.0
[M+Na]+ 618.25747 238.2
[M-H]- 594.26097 247.2
[M+NH4]+ 613.30207 241.2
[M+K]+ 634.23141 236.0
[M+H-H2O]+ 578.26551 230.6
[M+HCOO]- 640.26645 254.5
[M+CH3COO]- 654.28210 266.6
[M+Na-2H]- 616.24292 237.1
[M]+ 595.26770 240.8
[M]- 595.26880 240.8
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.