CID 56593237

[3-cyclohexyl-1-[[1-[(4-methyl-2-oxo-1h-quinolin-7-yl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-(9h-fluoren-9-ylmethyl)carbamic acid

Structural Information

Molecular Formula
C45H55N5O7
SMILES
CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3CCCCC3)N(CC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O
InChI
InChI=1S/C45H55N5O7/c1-28-24-40(51)48-38-26-30(21-22-31(28)38)47-41(52)37(20-12-13-23-46-43(54)57-45(2,3)4)49-42(53)39(25-29-14-6-5-7-15-29)50(44(55)56)27-36-34-18-10-8-16-32(34)33-17-9-11-19-35(33)36/h8-11,16-19,21-22,24,26,29,36-37,39H,5-7,12-15,20,23,25,27H2,1-4H3,(H,46,54)(H,47,52)(H,48,51)(H,49,53)(H,55,56)
InChIKey
LOSULXFOMGNJCN-UHFFFAOYSA-N
Compound name
[3-cyclohexyl-1-[[1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

777.41016 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.41744 272.3
[M+Na]+ 800.39938 277.7
[M+NH4]+ 795.44398 276.5
[M+K]+ 816.37332 273.9
[M-H]- 776.40288 271.3
[M+Na-2H]- 798.38483 287.8
[M]+ 777.40961 275.0
[M]- 777.41071 275.0
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.