CID 467973

198904-14-2

Structural Information

Molecular Formula
C43H59N9O7
SMILES
CC[C@H](C)[C@@H](C(=O)NN(CC1=CC=C(C=C1)C2=NN(N=N2)C(C)(C)C3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
InChI
InChI=1S/C43H59N9O7/c1-10-28(2)35(45-40(56)58-8)38(54)49-51(26-30-21-23-31(24-22-30)37-47-50-52(48-37)43(6,7)32-19-15-12-16-20-32)27-34(53)33(25-29-17-13-11-14-18-29)44-39(55)36(42(3,4)5)46-41(57)59-9/h11-24,28,33-36,53H,10,25-27H2,1-9H3,(H,44,55)(H,45,56)(H,46,57)(H,49,54)/t28-,33-,34-,35-,36+/m0/s1
InChIKey
PDJUKGDVTQZFML-BIIKVYKSSA-N
Compound name
methyl N-[(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[[4-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

813.45374 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 814.46102 268.1
[M+Na]+ 836.44296 273.5
[M-H]- 812.44646 268.8
[M+NH4]+ 831.48756 271.2
[M+K]+ 852.41690 260.9
[M+H-H2O]+ 796.45100 243.1
[M+HCOO]- 858.45194 271.8
[M+CH3COO]- 872.46759 309.3
[M+Na-2H]- 834.42841 289.0
[M]+ 813.45319 309.1
[M]- 813.45429 309.1
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.