CID 5327444

173240-66-9

Structural Information

Molecular Formula
C43H50N4O7
SMILES
CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](CC2=CC=CC=C2)C(=O)N)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)O[C@H]6CCOC6)O
InChI
InChI=1S/C43H50N4O7/c1-28(2)22-43(38(49)34(25-46-43)33(40(44)51)20-29-12-6-3-7-13-29)35-26-45-42(39(35)50,23-31-16-10-5-11-17-31)24-37(48)36(21-30-14-8-4-9-15-30)47-41(52)54-32-18-19-53-27-32/h3-17,25-26,28,32-33,36-37,45-46,48H,18-24,27H2,1-2H3,(H2,44,51)(H,47,52)/t32-,33+,36-,37-,42-,43-/m0/s1
InChIKey
MWGYNCKUZMAZOR-KHQFFOCDSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

734.3679 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.37518 260.4
[M+Na]+ 757.35712 253.8
[M-H]- 733.36062 271.8
[M+NH4]+ 752.40172 257.1
[M+K]+ 773.33106 253.0
[M+H-H2O]+ 717.36516 251.5
[M+HCOO]- 779.36610 266.3
[M+CH3COO]- 793.38175 279.5
[M+Na-2H]- 755.34257 265.1
[M]+ 734.36735 256.2
[M]- 734.36845 256.2
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.