CID 5272597

4-(2-aminothiazol-4-yl)-n-[2-[benzyl-[(1s)-1-phenylethyl]amino]-2-oxo-ethyl]-n-[(1r)-1-phenylethyl]benzamide

Structural Information

Molecular Formula
C35H34N4O2S
SMILES
C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CN([C@H](C)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C35H34N4O2S/c1-25(28-14-8-4-9-15-28)38(22-27-12-6-3-7-13-27)33(40)23-39(26(2)29-16-10-5-11-17-29)34(41)31-20-18-30(19-21-31)32-24-42-35(36)37-32/h3-21,24-26H,22-23H2,1-2H3,(H2,36,37)/t25-,26+/m0/s1
InChIKey
WSWFKXPKIVPAAY-IZZNHLLZSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.24023 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.24751 239.2
[M+Na]+ 597.22945 238.5
[M-H]- 573.23295 253.8
[M+NH4]+ 592.27405 241.6
[M+K]+ 613.20339 233.8
[M+H-H2O]+ 557.23749 226.6
[M+HCOO]- 619.23843 254.5
[M+CH3COO]- 633.25408 243.9
[M+Na-2H]- 595.21490 234.6
[M]+ 574.23968 240.2
[M]- 574.24078 240.2
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.