CID 11599712

Belamide a

Structural Information

Molecular Formula
C35H48N4O5
SMILES
CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N2[C@H](C(=CC2=O)OC)CC3=CC=CC=C3)N(C)C
InChI
InChI=1S/C35H48N4O5/c1-23(2)31(36(5)6)34(42)38(8)32(24(3)4)35(43)37(7)28(21-26-18-14-11-15-19-26)33(41)39-27(29(44-9)22-30(39)40)20-25-16-12-10-13-17-25/h10-19,22-24,27-28,31-32H,20-21H2,1-9H3/t27-,28-,31-,32-/m0/s1
InChIKey
JMMZSASROFIHRA-KOUWNTBJSA-N
Compound name
(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)-N,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

604.3625 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.36978 249.4
[M+Na]+ 627.35172 245.4
[M-H]- 603.35522 259.8
[M+NH4]+ 622.39632 251.8
[M+K]+ 643.32566 247.9
[M+H-H2O]+ 587.35976 238.7
[M+HCOO]- 649.36070 264.4
[M+CH3COO]- 663.37635 281.6
[M+Na-2H]- 625.33717 236.3
[M]+ 604.36195 255.3
[M]- 604.36305 255.3
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