CID 145455541

Glu-tyr-gly

Structural Information

Molecular Formula
C16H21N3O7
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O
InChI
InChI=1S/C16H21N3O7/c17-11(5-6-13(21)22)15(25)19-12(16(26)18-8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,11-12,20H,5-8,17H2,(H,18,26)(H,19,25)(H,21,22)(H,23,24)/t11-,12-/m0/s1
InChIKey
HAGKYCXGTRUUFI-RYUDHWBXSA-N
Compound name
(4S)-4-amino-5-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8645
Patents

367.13794 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14522 183.4
[M+Na]+ 390.12716 185.1
[M+NH4]+ 385.17176 183.5
[M+K]+ 406.10110 186.6
[M-H]- 366.13066 179.5
[M+Na-2H]- 388.11261 181.2
[M]+ 367.13739 181.3
[M]- 367.13849 181.3
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

patents stripe