CID 506725

L-leucinamide, n-[(2,6-dimethoxy-3-pyridinyl)carbonyl]-l-valyl-l-valyl-n1-[(1s)-1-formylpropyl]-

Structural Information

Molecular Formula
C28H45N5O7
SMILES
CC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C1=C(N=C(C=C1)OC)OC
InChI
InChI=1S/C28H45N5O7/c1-10-18(14-34)29-25(36)20(13-15(2)3)30-26(37)22(16(4)5)33-27(38)23(17(6)7)32-24(35)19-11-12-21(39-8)31-28(19)40-9/h11-12,14-18,20,22-23H,10,13H2,1-9H3,(H,29,36)(H,30,37)(H,32,35)(H,33,38)/t18-,20-,22-,23-/m0/s1
InChIKey
NPTTUEUFOKUTRM-HMNCIZAVSA-N
Compound name
2,6-dimethoxy-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxobutan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.3319 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.33918 229.8
[M+Na]+ 586.32112 248.1
[M-H]- 562.32462 244.7
[M+NH4]+ 581.36572 246.4
[M+K]+ 602.29506 241.8
[M+H-H2O]+ 546.32916 234.7
[M+HCOO]- 608.33010 218.4
[M+CH3COO]- 622.34575 270.8
[M+Na-2H]- 584.30657 224.4
[M]+ 563.33135 223.1
[M]- 563.33245 223.1
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.