CID 471873

Chembl23473

Structural Information

Molecular Formula
C37H58N6O5
SMILES
CC(C)NCC(=O)N(CC(=O)N(CC1=CC=CC=C1)CC(CN(CC2=CC=CC=C2)C(=O)CN(C(C)C)C(=O)CNC(C)C)O)C(C)C
InChI
InChI=1S/C37H58N6O5/c1-27(2)38-19-34(45)42(29(5)6)25-36(47)40(21-31-15-11-9-12-16-31)23-33(44)24-41(22-32-17-13-10-14-18-32)37(48)26-43(30(7)8)35(46)20-39-28(3)4/h9-18,27-30,33,38-39,44H,19-26H2,1-8H3
InChIKey
HTHBYWKMPZHVAY-UHFFFAOYSA-N
Compound name
N-[2-[benzyl-[3-[benzyl-[2-[propan-2-yl-[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]-2-hydroxypropyl]amino]-2-oxoethyl]-N-propan-2-yl-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.4469 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.45418 248.4
[M+Na]+ 689.43612 273.0
[M-H]- 665.43962 266.3
[M+NH4]+ 684.48072 270.0
[M+K]+ 705.41006 265.9
[M+H-H2O]+ 649.44416 260.6
[M+HCOO]- 711.44510 234.9
[M+CH3COO]- 725.46075 300.0
[M+Na-2H]- 687.42157 260.0
[M]+ 666.44635 240.9
[M]- 666.44745 240.9
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.