CID 7018878

H-asp-ala-beta-na

Structural Information

Molecular Formula
C17H19N3O4
SMILES
C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C17H19N3O4/c1-10(19-17(24)14(18)9-15(21)22)16(23)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14H,9,18H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t10-,14-/m0/s1
InChIKey
XJJJPMOPFLKYID-HZMBPMFUSA-N
Compound name
(3S)-3-amino-4-[[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.13754 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14482 176.0
[M+Na]+ 352.12676 182.3
[M+NH4]+ 347.17136 180.2
[M+K]+ 368.10070 179.8
[M-H]- 328.13026 176.4
[M+Na-2H]- 350.11221 178.0
[M]+ 329.13699 176.2
[M]- 329.13809 176.2
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.