CID 132225736

Riminkefon

Structural Information

Molecular Formula
C38H57N7O6
SMILES
C[C@@H](CNCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N2CCC(CC2)(C(=O)O)N)C3=CC=CC=C3
InChI
InChI=1S/C38H57N7O6/c1-26(2)22-31(34(47)43-30(16-10-11-19-39)36(49)45-20-17-38(40,18-21-45)37(50)51)44-35(48)32(23-28-12-6-4-7-13-28)42-33(46)25-41-24-27(3)29-14-8-5-9-15-29/h4-9,12-15,26-27,30-32,41H,10-11,16-25,39-40H2,1-3H3,(H,42,46)(H,43,47)(H,44,48)(H,50,51)/t27-,30+,31+,32+/m0/s1
InChIKey
AYIXVIHRKYGICQ-LHJVHYEPSA-N
Compound name
4-amino-1-[(2R)-6-amino-2-[[(2R)-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(2R)-2-phenylpropyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

707.437 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.44428 259.3
[M+Na]+ 730.42622 261.4
[M-H]- 706.42972 260.4
[M+NH4]+ 725.47082 262.0
[M+K]+ 746.40016 254.3
[M+H-H2O]+ 690.43426 236.5
[M+HCOO]- 752.43520 262.9
[M+CH3COO]- 766.45085 295.7
[M+Na-2H]- 728.41167 292.9
[M]+ 707.43645 297.7
[M]- 707.43755 297.7
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.