CID 71359529

L-histidinamide, l-histidyl-l-leucyl-n-2-naphthalenyl-

Structural Information

Molecular Formula
C28H34N8O3
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CN=CN4)N
InChI
InChI=1S/C28H34N8O3/c1-17(2)9-24(35-26(37)23(29)11-21-13-30-15-32-21)28(39)36-25(12-22-14-31-16-33-22)27(38)34-20-8-7-18-5-3-4-6-19(18)10-20/h3-8,10,13-17,23-25H,9,11-12,29H2,1-2H3,(H,30,32)(H,31,33)(H,34,38)(H,35,37)(H,36,39)/t23-,24-,25-/m0/s1
InChIKey
DNGXFKWNQIFQKU-SDHOMARFSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.2754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.28268 216.7
[M+Na]+ 553.26462 214.3
[M-H]- 529.26812 220.2
[M+NH4]+ 548.30922 217.3
[M+K]+ 569.23856 211.0
[M+H-H2O]+ 513.27266 205.8
[M+HCOO]- 575.27360 230.4
[M+CH3COO]- 589.28925 252.2
[M+Na-2H]- 551.25007 214.5
[M]+ 530.27485 213.5
[M]- 530.27595 213.5
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.