CID 485290

Ser-tyr-glu-leu-oh

Structural Information

Molecular Formula
C23H34N4O9
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C23H34N4O9/c1-12(2)9-18(23(35)36)27-21(33)16(7-8-19(30)31)25-22(34)17(26-20(32)15(24)11-28)10-13-3-5-14(29)6-4-13/h3-6,12,15-18,28-29H,7-11,24H2,1-2H3,(H,25,34)(H,26,32)(H,27,33)(H,30,31)(H,35,36)/t15-,16-,17-,18-/m0/s1
InChIKey
OLERSUDGWDNFGC-XSLAGTTESA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.23257 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.23985 205.1
[M+Na]+ 533.22179 217.3
[M-H]- 509.22529 217.8
[M+NH4]+ 528.26639 210.5
[M+K]+ 549.19573 209.0
[M+H-H2O]+ 493.22983 210.0
[M+HCOO]- 555.23077 190.1
[M+CH3COO]- 569.24642 250.1
[M+Na-2H]- 531.20724 249.8
[M]+ 510.23202 192.3
[M]- 510.23312 192.3
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

No patent data available for this compound.