CID 473824

P2-nucleocapsid acetyl-thr-ile-nle-r-nle-gln-arg-nh2

Structural Information

Molecular Formula
C35H67N11O8
SMILES
CCCC[C@@H](CN[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCCC)NC(=O)C([C@@H](C)CC)NC(=O)C([C@@H](C)O)NC(=O)C
InChI
InChI=1S/C35H67N11O8/c1-7-10-13-23(19-41-25(16-17-27(36)49)31(51)44-24(30(37)50)15-12-18-40-35(38)39)43-32(52)26(14-11-8-2)45-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,52)(H,44,51)(H,45,53)(H,46,54)(H4,38,39,40)/t20-,21+,23-,24-,25-,26-,28?,29?/m0/s1
InChIKey
XWRBPMWYPUDACZ-HLWQSZEZSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S)-2-[[(3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

769.5174 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 770.52468 276.0
[M+Na]+ 792.50662 270.4
[M-H]- 768.51012 279.3
[M+NH4]+ 787.55122 277.3
[M+K]+ 808.48056 271.0
[M+H-H2O]+ 752.51466 255.1
[M+HCOO]- 814.51560 277.4
[M+CH3COO]- 828.53125 321.7
[M+Na-2H]- 790.49207 320.2
[M]+ 769.51685 313.7
[M]- 769.51795 313.7
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.