CID 5274681

Trp-gly-lys-phe-val-nh2

Structural Information

Molecular Formula
C33H46N8O5
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
InChI
InChI=1S/C33H46N8O5/c1-20(2)29(30(36)43)41-33(46)27(16-21-10-4-3-5-11-21)40-32(45)26(14-8-9-15-34)39-28(42)19-38-31(44)24(35)17-22-18-37-25-13-7-6-12-23(22)25/h3-7,10-13,18,20,24,26-27,29,37H,8-9,14-17,19,34-35H2,1-2H3,(H2,36,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t24-,26-,27-,29-/m0/s1
InChIKey
TVYYWEHFOCOBJM-CXXWFMJBSA-N
Compound name
(2S)-6-amino-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

634.35913 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.36641 249.1
[M+Na]+ 657.34835 252.1
[M-H]- 633.35185 251.2
[M+NH4]+ 652.39295 253.0
[M+K]+ 673.32229 251.5
[M+H-H2O]+ 617.35639 227.7
[M+HCOO]- 679.35733 253.9
[M+CH3COO]- 693.37298 285.1
[M+Na-2H]- 655.33380 279.5
[M]+ 634.35858 292.6
[M]- 634.35968 292.6
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.