CID 16657387

Acetyl tetrapeptide-15

Structural Information

Molecular Formula
C34H39N5O6
SMILES
CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C34H39N5O6/c1-22(40)36-29(21-25-14-16-26(41)17-15-25)34(45)39-18-8-13-30(39)33(44)38-28(20-24-11-6-3-7-12-24)32(43)37-27(31(35)42)19-23-9-4-2-5-10-23/h2-7,9-12,14-17,27-30,41H,8,13,18-21H2,1H3,(H2,35,42)(H,36,40)(H,37,43)(H,38,44)/t27-,28-,29-,30-/m0/s1
InChIKey
BSXFOBDOGHFWOC-KRCBVYEFSA-N
Compound name
(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

742
Patents

613.29004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.29732 242.1
[M+Na]+ 636.27926 244.4
[M+NH4]+ 631.32386 241.8
[M+K]+ 652.25320 245.1
[M-H]- 612.28276 245.5
[M+Na-2H]- 634.26471 245.2
[M]+ 613.28949 242.2
[M]- 613.29059 242.2
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