CID 3080375

L-prolinamide, n-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-n-methyl-, (s)-

Structural Information

Molecular Formula
C18H25N7O5
SMILES
CN1CCC[C@H]1C(=O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)N(C(=O)N3)C
InChI
InChI=1S/C18H25N7O5/c1-24-5-3-4-13(24)17(29)23-16(28)11(6-10-8-19-9-20-10)21-15(27)12-7-14(26)25(2)18(30)22-12/h8-9,11-13H,3-7H2,1-2H3,(H,19,20)(H,21,27)(H,22,30)(H,23,28,29)/t11-,12-,13-/m0/s1
InChIKey
WMEBYZMMWCLYDW-AVGNSLFASA-N
Compound name
(4S)-N-[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1917 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19898 193.7
[M+Na]+ 442.18092 196.1
[M+NH4]+ 437.22552 193.3
[M+K]+ 458.15486 200.8
[M-H]- 418.18442 191.0
[M+Na-2H]- 440.16637 192.4
[M]+ 419.19115 191.9
[M]- 419.19225 191.9
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

No patent data available for this compound.