CID 485291

Ser-tyr-glu-tyr-oh

Structural Information

Molecular Formula
C26H32N4O9
SMILES
C1=CC(=CC=C1C[C@@H](C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C26H32N4O9/c27-20(14-32)24(37)30-22(12-16-3-7-19(34)8-4-16)26(39)29-21(9-10-23(35)36)25(38)28-17(13-31)11-15-1-5-18(33)6-2-15/h1-8,13,17,20-22,32-34H,9-12,14,27H2,(H,28,38)(H,29,39)(H,30,37)(H,35,36)/t17-,20-,21-,22-/m0/s1
InChIKey
LZOQUWRJDFOQIP-MQGJPIDWSA-N
Compound name
(4S)-4-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.2169 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.22418 224.3
[M+Na]+ 567.20612 219.4
[M-H]- 543.20962 223.3
[M+NH4]+ 562.25072 223.0
[M+K]+ 583.18006 220.6
[M+H-H2O]+ 527.21416 214.1
[M+HCOO]- 589.21510 236.6
[M+CH3COO]- 603.23075 254.7
[M+Na-2H]- 565.19157 216.3
[M]+ 544.21635 221.1
[M]- 544.21745 221.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.