CID 475591

162739-40-4

Structural Information

Molecular Formula
C28H33N5O7S
SMILES
CC(C)C1=NC(=CO1)COC(=O)NN(CC2=COC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
InChI
InChI=1S/C28H33N5O7S/c1-19(2)26-30-22(15-38-26)16-39-28(36)32-33(12-21-8-9-37-14-21)13-25(34)24(10-20-6-4-3-5-7-20)31-27(35)40-17-23-11-29-18-41-23/h3-9,11,14-15,18-19,24-25,34H,10,12-13,16-17H2,1-2H3,(H,31,35)(H,32,36)/t24-,25-/m0/s1
InChIKey
UYXFUMSCNRUUOM-DQEYMECFSA-N
Compound name
(2-propan-2-yl-1,3-oxazol-4-yl)methyl N-[furan-3-ylmethyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(1,3-thiazol-5-ylmethoxycarbonylamino)butyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

583.2101 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.21738 235.2
[M+Na]+ 606.19932 234.2
[M-H]- 582.20282 247.9
[M+NH4]+ 601.24392 236.9
[M+K]+ 622.17326 236.9
[M+H-H2O]+ 566.20736 226.7
[M+HCOO]- 628.20830 251.2
[M+CH3COO]- 642.22395 255.3
[M+Na-2H]- 604.18477 230.6
[M]+ 583.20955 245.1
[M]- 583.21065 245.1
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

patents stripe