CID 146683644

Mirabimide d

Structural Information

Molecular Formula
C34H56N4O8
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(=O)C
InChI
InChI=1S/C34H56N4O8/c1-13-22(8)30(46-34(44)25(17-19(2)3)35(10)23(9)39)33(43)36(11)29(21(6)7)32(42)37-16-14-15-24(37)31(41)38-27(40)18-26(45-12)28(38)20(4)5/h18-22,24-25,28-30H,13-17H2,1-12H3/t22-,24+,25-,28+,29-,30-/m0/s1
InChIKey
VMCRBPTYWASLCC-SLFXSCPESA-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-[acetyl(methyl)amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.4098 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.41708 253.2
[M+Na]+ 671.39902 276.3
[M-H]- 647.40252 269.9
[M+NH4]+ 666.44362 283.0
[M+K]+ 687.37296 272.3
[M+H-H2O]+ 631.40706 265.0
[M+HCOO]- 693.40800 244.4
[M+CH3COO]- 707.42365 284.6
[M+Na-2H]- 669.38447 248.6
[M]+ 648.40925 256.1
[M]- 648.41035 256.1
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.