CID 99647883

Suc-phe-leu-phe-4mbna

Structural Information

Molecular Formula
C39H44N4O7
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C(=C2)OC)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CCC(=O)O
InChI
InChI=1S/C39H44N4O7/c1-25(2)20-31(42-39(49)32(21-26-12-6-4-7-13-26)41-35(44)18-19-36(45)46)38(48)43-33(22-27-14-8-5-9-15-27)37(47)40-29-23-28-16-10-11-17-30(28)34(24-29)50-3/h4-17,23-25,31-33H,18-22H2,1-3H3,(H,40,47)(H,41,44)(H,42,49)(H,43,48)(H,45,46)/t31-,32-,33-/m0/s1
InChIKey
KOHRTTCWUYWOAB-ZDCRTTOTSA-N
Compound name
4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

680.321 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.32828 259.8
[M+Na]+ 703.31022 252.1
[M-H]- 679.31372 265.0
[M+NH4]+ 698.35482 255.1
[M+K]+ 719.28416 252.7
[M+H-H2O]+ 663.31826 247.5
[M+HCOO]- 725.31920 271.8
[M+CH3COO]- 739.33485 285.8
[M+Na-2H]- 701.29567 253.6
[M]+ 680.32045 259.9
[M]- 680.32155 259.9
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.