CID 454995

Saaf-psi-[ch2n]pvv-nh2

Structural Information

Molecular Formula
C32H52N8O7
SMILES
CC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NCN(CC2=CC=CC=C2)C(=O)C(C)NC(=O)C(C)NC(=O)C(CO)N)N
InChI
InChI=1S/C32H52N8O7/c1-18(2)25(34)30(45)38-26(19(3)4)32(47)40-14-10-13-24(40)29(44)35-17-39(15-22-11-8-7-9-12-22)31(46)21(6)37-27(42)20(5)36-28(43)23(33)16-41/h7-9,11-12,18-21,23-26,41H,10,13-17,33-34H2,1-6H3,(H,35,44)(H,36,43)(H,37,42)(H,38,45)
InChIKey
WWCWDGYTSPNRFL-UHFFFAOYSA-N
Compound name
N-[[2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]propanoyl-benzylamino]methyl]-1-[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

660.3959 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.40318 258.4
[M+Na]+ 683.38512 257.7
[M-H]- 659.38862 262.2
[M+NH4]+ 678.42972 261.4
[M+K]+ 699.35906 256.1
[M+H-H2O]+ 643.39316 236.4
[M+HCOO]- 705.39410 262.0
[M+CH3COO]- 719.40975 293.1
[M+Na-2H]- 681.37057 291.8
[M]+ 660.39535 300.2
[M]- 660.39645 300.2
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

No patent data available for this compound.