CID 24878793

Dragonamide d

Structural Information

Molecular Formula
C32H55N5O6
SMILES
CC(C)[C@@H](C(=O)N)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CC(=O)CCCC#C
InChI
InChI=1S/C32H55N5O6/c1-14-15-16-17-23(38)18-24(39)34(10)26(20(4)5)30(41)36(12)28(22(8)9)32(43)37(13)27(21(6)7)31(42)35(11)25(19(2)3)29(33)40/h1,19-22,25-28H,15-18H2,2-13H3,(H2,33,40)/t25-,26-,27-,28-/m0/s1
InChIKey
AGFCKPZYFBZCBZ-LJWNLINESA-N
Compound name
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-methyl-3-oxooct-7-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

605.4152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.42248 267.8
[M+Na]+ 628.40442 288.2
[M-H]- 604.40792 288.3
[M+NH4]+ 623.44902 295.7
[M+K]+ 644.37836 289.3
[M+H-H2O]+ 588.41246 275.8
[M+HCOO]- 650.41340 241.5
[M+CH3COO]- 664.42905 288.6
[M+Na-2H]- 626.38987 266.5
[M]+ 605.41465 264.5
[M]- 605.41575 264.5
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

patents stripe