CID 10930574

Guineamide f

Structural Information

Molecular Formula
C40H55N5O7
SMILES
CCCC1C(C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)NCC(=O)O1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C)C(C)C)(C)C
InChI
InChI=1S/C40H55N5O7/c1-8-16-32-40(4,5)39(51)42-34(26(2)3)38(50)44(7)31(24-28-19-13-10-14-20-28)37(49)45-22-15-21-29(45)36(48)43(6)30(23-27-17-11-9-12-18-27)35(47)41-25-33(46)52-32/h9-14,17-20,26,29-32,34H,8,15-16,21-25H2,1-7H3,(H,41,47)(H,42,51)/t29-,30-,31-,32?,34-/m0/s1
InChIKey
HGABVVDKSKHSGK-AILSMDFESA-N
Compound name
(3S,6S,16S,19S)-3,16-dibenzyl-4,9,9,17-tetramethyl-6-propan-2-yl-10-propyl-11-oxa-1,4,7,14,17-pentazabicyclo[17.3.0]docosane-2,5,8,12,15,18-hexone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

717.41016 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.41744 271.3
[M+Na]+ 740.39938 273.1
[M-H]- 716.40288 273.0
[M+NH4]+ 735.44398 261.1
[M+K]+ 756.37332 268.2
[M+H-H2O]+ 700.40742 264.0
[M+HCOO]- 762.40836 267.2
[M+CH3COO]- 776.42401 276.3
[M+Na-2H]- 738.38483 255.4
[M]+ 717.40961 264.0
[M]- 717.41071 264.0
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.