CID 15956237

L-norvalinamide, n-[(1,1-dimethylethoxy)carbonyl]-l-valyl-(4r)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]prolyl-n1-(phenylmethyl)-

Structural Information

Molecular Formula
C43H53N5O7
SMILES
CCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C2CC(CN2C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C43H53N5O7/c1-8-15-33(39(49)44-25-28-16-11-9-12-17-28)46-40(50)36-23-31(26-48(36)41(51)38(27(2)3)47-42(52)55-43(4,5)6)54-37-24-34(29-18-13-10-14-19-29)45-35-22-30(53-7)20-21-32(35)37/h9-14,16-22,24,27,31,33,36,38H,8,15,23,25-26H2,1-7H3,(H,44,49)(H,46,50)(H,47,52)/t31?,33-,36?,38-/m0/s1
InChIKey
OXAZWGDUBMGRRS-XEGLPYOISA-N
Compound name
tert-butyl N-[(2S)-1-[2-[[(2S)-1-(benzylamino)-1-oxopentan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

751.3945 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 752.40178 274.0
[M+Na]+ 774.38372 267.4
[M-H]- 750.38722 282.3
[M+NH4]+ 769.42832 267.2
[M+K]+ 790.35766 267.8
[M+H-H2O]+ 734.39176 261.6
[M+HCOO]- 796.39270 281.9
[M+CH3COO]- 810.40835 296.7
[M+Na-2H]- 772.36917 267.0
[M]+ 751.39395 276.7
[M]- 751.39505 276.7
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.