CID 16737470

Dragonamide b

Structural Information

Molecular Formula
C33H59N5O5
SMILES
C[C@@H](CCCCC#C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N
InChI
InChI=1S/C33H59N5O5/c1-15-16-17-18-19-24(10)30(40)36(12)26(21(4)5)32(42)38(14)28(23(8)9)33(43)37(13)27(22(6)7)31(41)35(11)25(20(2)3)29(34)39/h1,20-28H,16-19H2,2-14H3,(H2,34,39)/t24-,25-,26-,27-,28-/m0/s1
InChIKey
DMKFTARWVIEXGT-XLIKFSOKSA-N
Compound name
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N,2-dimethyloct-7-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

605.4516 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.45888 268.2
[M+Na]+ 628.44082 288.4
[M-H]- 604.44432 287.4
[M+NH4]+ 623.48542 295.3
[M+K]+ 644.41476 290.3
[M+H-H2O]+ 588.44886 276.0
[M+HCOO]- 650.44980 241.1
[M+CH3COO]- 664.46545 289.9
[M+Na-2H]- 626.42627 266.7
[M]+ 605.45105 264.6
[M]- 605.45215 264.6
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

patents stripe