CID 485301

Ac-phe-ser-tyr-glu-leu-oh

Structural Information

Molecular Formula
C34H45N5O11
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)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C34H45N5O11/c1-19(2)15-27(34(49)50)38-30(45)24(13-14-29(43)44)36-32(47)26(17-22-9-11-23(42)12-10-22)37-33(48)28(18-40)39-31(46)25(35-20(3)41)16-21-7-5-4-6-8-21/h4-12,19,24-28,40,42H,13-18H2,1-3H3,(H,35,41)(H,36,47)(H,37,48)(H,38,45)(H,39,46)(H,43,44)(H,49,50)/t24-,25-,26-,27-,28-/m0/s1
InChIKey
KKEZDHVMJHOPOT-XLIKFSOKSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]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

699.3116 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 700.31888 254.1
[M+Na]+ 722.30082 253.8
[M-H]- 698.30432 258.8
[M+NH4]+ 717.34542 257.0
[M+K]+ 738.27476 247.8
[M+H-H2O]+ 682.30886 232.2
[M+HCOO]- 744.30980 258.0
[M+CH3COO]- 758.32545 287.3
[M+Na-2H]- 720.28627 288.8
[M]+ 699.31105 291.4
[M]- 699.31215 291.4
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.