CID 122706218

(e,2s)-2-amino-5-[[4-hydroxy-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-2-yl]amino]pent-4-enoic acid

Structural Information

Molecular Formula
C18H20N4O4
SMILES
C[C@H](C1=CNC2=CC=CC=C21)C3=C(N=C(O3)N/C=C/C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C18H20N4O4/c1-10(12-9-21-14-7-3-2-5-11(12)14)15-16(23)22-18(26-15)20-8-4-6-13(19)17(24)25/h2-5,7-10,13,21,23H,6,19H2,1H3,(H,20,22)(H,24,25)/b8-4+/t10-,13+/m1/s1
InChIKey
ISXSLHPUGXAZHN-VTFVAFMWSA-N
Compound name
(E,2S)-2-amino-5-[[4-hydroxy-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-2-yl]amino]pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

356.14847 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.155746 183.1
[M+Na]+ 379.137688 188.5
[M-H]- 355.141194 185.6
[M+NH4]+ 374.182293 193.3
[M+K]+ 395.111628 184.7
[M+H-H2O]+ 339.145730 175.3
[M+HCOO]- 401.146671 200.4
[M+CH3COO]- 415.162321 212.4
[M+Na-2H]- 377.123136 182.1
[M]+ 356.14792142 182.9
[M]- 356.14901858 182.9
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.