CID 15547703

Tosedostat

Structural Information

Molecular Formula
C21H30N2O6
SMILES
CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2CCCC2
InChI
InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1
InChIKey
FWFGIHPGRQZWIW-SQNIBIBYSA-N
Compound name
cyclopentyl (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

1578
Patents

406.2104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.21768 196.6
[M+Na]+ 429.19962 198.1
[M+NH4]+ 424.24422 198.5
[M+K]+ 445.17356 200.0
[M-H]- 405.20312 195.1
[M+Na-2H]- 427.18507 195.9
[M]+ 406.20985 195.3
[M]- 406.21095 195.3
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

patents stripe