CID 130025

Bz-arg-gly-phe-pro-meo-na

Structural Information

Molecular Formula
C40H46N8O6
SMILES
COC1=CC(=CC2=CC=CC=C21)N3CCC[C@H]3C(=O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C40H46N8O6/c1-54-34-24-29(23-28-16-8-9-17-30(28)34)48-21-11-19-33(48)39(53)47-38(52)32(22-26-12-4-2-5-13-26)45-35(49)25-44-37(51)31(18-10-20-43-40(41)42)46-36(50)27-14-6-3-7-15-27/h2-9,12-17,23-24,31-33H,10-11,18-22,25H2,1H3,(H,44,51)(H,45,49)(H,46,50)(H4,41,42,43)(H,47,52,53)/t31-,32-,33-/m0/s1
InChIKey
BBSUIYLUVKSDMT-ZDCRTTOTSA-N
Compound name
(2S)-N-[(2S)-2-[[2-[[(2S)-2-benzamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-1-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

734.354 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.36128 268.7
[M+Na]+ 757.34322 274.7
[M+NH4]+ 752.38782 274.1
[M+K]+ 773.31716 267.6
[M-H]- 733.34672 268.4
[M+Na-2H]- 755.32867 285.9
[M]+ 734.35345 272.7
[M]- 734.35455 272.7
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.