CID 6918228

Fk-906

Structural Information

Molecular Formula
C40H63N7O7
SMILES
CC(C)CC[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)OC(=O)N(C)CCN(C)C(=O)N4CCOCC4)O
InChI
InChI=1S/C40H63N7O7/c1-29(2)16-17-35(48)33(24-30-12-8-6-9-13-30)43-37(49)34(26-32-27-41-28-42-32)46(5)38(50)36(25-31-14-10-7-11-15-31)54-40(52)45(4)19-18-44(3)39(51)47-20-22-53-23-21-47/h7,10-11,14-15,27-30,33-36,48H,6,8-9,12-13,16-26H2,1-5H3,(H,41,42)(H,43,49)/t33-,34-,35-,36-/m0/s1
InChIKey
ROLLOXGFWONEIX-ZYADHFCISA-N
Compound name
[(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

753.4789 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 754.48618 267.2
[M+Na]+ 776.46812 252.3
[M-H]- 752.47162 272.9
[M+NH4]+ 771.51272 256.2
[M+K]+ 792.44206 257.5
[M+H-H2O]+ 736.47616 255.0
[M+HCOO]- 798.47710 269.5
[M+CH3COO]- 812.49275 298.7
[M+Na-2H]- 774.45357 295.5
[M]+ 753.47835 308.0
[M]- 753.47945 308.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe