CID 139291944

Microcolin d

Structural Information

Molecular Formula
C37H63N5O8
SMILES
CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](C=CC2=O)C)O
InChI
InChI=1S/C37H63N5O8/c1-12-13-14-23(6)18-24(7)34(47)39(10)28(17-21(2)3)33(46)38-31(26(9)43)36(49)40(11)32(22(4)5)37(50)41-20-27(44)19-29(41)35(48)42-25(8)15-16-30(42)45/h15-16,21-29,31-32,43-44H,12-14,17-20H2,1-11H3,(H,38,46)/t23-,24-,25+,26-,27+,28+,29+,31+,32+/m1/s1
InChIKey
LGFRMTGWBFXONS-COBHXZBRSA-N
Compound name
(2R,4R)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

705.46765 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.474926 257.2
[M+Na]+ 728.456868 279.1
[M-H]- 704.460374 274.8
[M+NH4]+ 723.501473 282.8
[M+K]+ 744.430808 276.2
[M+H-H2O]+ 688.464910 265.9
[M+HCOO]- 750.465851 239.9
[M+CH3COO]- 764.481501 294.7
[M+Na-2H]- 726.442316 282.5
[M]+ 705.46710142 255.9
[M]- 705.46819858 255.9
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.