CID 506714

L-leucinamide, n-(1,6-naphthyridin-2-ylcarbonyl)-l-valyl-l-valyl-n1-[(1s)-1-formylpropyl]-

Structural Information

Molecular Formula
C29H42N6O5
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=NC2=C(C=C1)C=NC=C2
InChI
InChI=1S/C29H42N6O5/c1-8-20(15-36)31-27(38)23(13-16(2)3)33-28(39)24(17(4)5)35-29(40)25(18(6)7)34-26(37)22-10-9-19-14-30-12-11-21(19)32-22/h9-12,14-18,20,23-25H,8,13H2,1-7H3,(H,31,38)(H,33,39)(H,34,37)(H,35,40)/t20-,23-,24-,25-/m0/s1
InChIKey
UIJOMQOAKWTPNW-VDVKDMFPSA-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]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.32166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.32894 235.4
[M+Na]+ 577.31088 230.9
[M-H]- 553.31438 235.0
[M+NH4]+ 572.35548 235.8
[M+K]+ 593.28482 232.2
[M+H-H2O]+ 537.31892 225.6
[M+HCOO]- 599.31986 246.0
[M+CH3COO]- 613.33551 268.6
[M+Na-2H]- 575.29633 227.6
[M]+ 554.32111 236.4
[M]- 554.32221 236.4
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.