CID 49767958

L-leucine, n-[(2-naphthalenyloxy)acetyl]glycyl-, methyl ester

Structural Information

Molecular Formula
C21H26N2O5
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)CNC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C21H26N2O5/c1-14(2)10-18(21(26)27-3)23-19(24)12-22-20(25)13-28-17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11,14,18H,10,12-13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKey
YJQXGEIXXDNGDI-SFHVURJKSA-N
Compound name
methyl (2S)-4-methyl-2-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.18417 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19145 193.3
[M+Na]+ 409.17339 194.9
[M-H]- 385.17689 196.2
[M+NH4]+ 404.21799 204.3
[M+K]+ 425.14733 193.8
[M+H-H2O]+ 369.18143 184.6
[M+HCOO]- 431.18237 212.1
[M+CH3COO]- 445.19802 226.4
[M+Na-2H]- 407.15884 192.8
[M]+ 386.18362 196.7
[M]- 386.18472 196.7
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.