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]+ 706.47493 257.2
[M+Na]+ 728.45687 279.1
[M-H]- 704.46037 274.8
[M+NH4]+ 723.50147 282.8
[M+K]+ 744.43081 276.2
[M+H-H2O]+ 688.46491 265.9
[M+HCOO]- 750.46585 239.9
[M+CH3COO]- 764.48150 294.7
[M+Na-2H]- 726.44232 282.5
[M]+ 705.46710 255.9
[M]- 705.46820 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.