CID 146683645

Mirabimide a

Structural Information

Molecular Formula
C33H56N4O7
SMILES
CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N2[C@@H](C(=CC2=O)OC)C(C)C)OC(=O)[C@H](CC(C)C)N(C)C
InChI
InChI=1S/C33H56N4O7/c1-13-22(8)29(44-33(42)24(34(9)10)17-19(2)3)32(41)35(11)28(21(6)7)31(40)36-16-14-15-23(36)30(39)37-26(38)18-25(43-12)27(37)20(4)5/h18-24,27-29H,13-17H2,1-12H3/t22-,23+,24-,27+,28-,29-/m0/s1
InChIKey
HWFRVWXLBKHDOI-RKMTVKOKSA-N
Compound name
[(2S,3S)-1-[[(2S)-1-[(2R)-2-[(2R)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] (2S)-2-(dimethylamino)-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.4149 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.42218 249.2
[M+Na]+ 643.40412 272.2
[M-H]- 619.40762 263.9
[M+NH4]+ 638.44872 276.8
[M+K]+ 659.37806 267.7
[M+H-H2O]+ 603.41216 260.5
[M+HCOO]- 665.41310 242.5
[M+CH3COO]- 679.42875 280.7
[M+Na-2H]- 641.38957 244.3
[M]+ 620.41435 251.5
[M]- 620.41545 251.5
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.