CID 146683659

Nostamide e

Structural Information

Molecular Formula
C41H59N7O8
SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(C(C)CC)C(=O)O)CC2=CC=CC=C2)C)CCC3=CC=CC=C3
InChI
InChI=1S/C41H59N7O8/c1-6-25(3)33-39(53)44-31(22-21-28-16-10-8-11-17-28)37(51)43-27(5)35(49)45-32(24-29-18-12-9-13-19-29)36(50)42-23-15-14-20-30(38(52)47-33)46-41(56)48-34(40(54)55)26(4)7-2/h8-13,16-19,25-27,30-34H,6-7,14-15,20-24H2,1-5H3,(H,42,50)(H,43,51)(H,44,53)(H,45,49)(H,47,52)(H,54,55)(H2,46,48,56)
InChIKey
HTIYBOWAXIGUGD-UHFFFAOYSA-N
Compound name
2-[[3-benzyl-12-butan-2-yl-6-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

777.4425 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.44978 281.0
[M+Na]+ 800.43172 283.8
[M-H]- 776.43522 272.2
[M+NH4]+ 795.47632 278.6
[M+K]+ 816.40566 262.5
[M+H-H2O]+ 760.43976 248.1
[M+HCOO]- 822.44070 279.3
[M+CH3COO]- 836.45635 284.3
[M+Na-2H]- 798.41717 291.0
[M]+ 777.44195 296.6
[M]- 777.44305 296.6
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

No patent data available for this compound.