CID 484683

Leu-glu-tyr-ser

Structural Information

Molecular Formula
C23H34N4O8
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C=O)N
InChI
InChI=1S/C23H34N4O8/c1-13(2)9-17(24)21(33)26-18(7-8-20(31)32)22(34)27-19(23(35)25-15(11-28)12-29)10-14-3-5-16(30)6-4-14/h3-6,11,13,15,17-19,29-30H,7-10,12,24H2,1-2H3,(H,25,35)(H,26,33)(H,27,34)(H,31,32)/t15-,17+,18+,19+/m1/s1
InChIKey
KHTJQLBDRHJVTQ-BVBHFADKSA-N
Compound name
(4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

494.23767 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.24495 217.7
[M+Na]+ 517.22689 219.3
[M-H]- 493.23039 217.4
[M+NH4]+ 512.27149 211.4
[M+K]+ 533.20083 215.0
[M+H-H2O]+ 477.23493 208.5
[M+HCOO]- 539.23587 194.8
[M+CH3COO]- 553.25152 248.4
[M+Na-2H]- 515.21234 207.5
[M]+ 494.23712 193.7
[M]- 494.23822 193.7
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.