CID 506719

L-leucinamide, n-(3-pyridinylcarbonyl)-l-valyl-l-valyl-n1-[(1s)-1-formylpropyl]-

Structural Information

Molecular Formula
C26H41N5O5
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=CN=CC=C1
InChI
InChI=1S/C26H41N5O5/c1-8-19(14-32)28-24(34)20(12-15(2)3)29-25(35)21(16(4)5)31-26(36)22(17(6)7)30-23(33)18-10-9-11-27-13-18/h9-11,13-17,19-22H,8,12H2,1-7H3,(H,28,34)(H,29,35)(H,30,33)(H,31,36)/t19-,20-,21-,22-/m0/s1
InChIKey
GJIHULUJOSSALY-CMOCDZPBSA-N
Compound name
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

503.31076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.31804 227.6
[M+Na]+ 526.29998 222.9
[M-H]- 502.30348 231.2
[M+NH4]+ 521.34458 232.4
[M+K]+ 542.27392 224.8
[M+H-H2O]+ 486.30802 218.0
[M+HCOO]- 548.30896 206.8
[M+CH3COO]- 562.32461 258.3
[M+Na-2H]- 524.28543 217.0
[M]+ 503.31021 227.8
[M]- 503.31131 227.8
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.