CID 5493701

(2s)-2-acetamido-n-[(1s)-2-[[(1s)-2-[(2s)-2-[3-(dimethylamino)-3-oxo-propyl]-3-oxo-azetidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-4-methyl-pentanamide

Structural Information

Molecular Formula
C22H37N5O6
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N1CC(=O)[C@@H]1CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C
InChI
InChI=1S/C22H37N5O6/c1-12(2)10-16(25-15(5)28)21(32)23-13(3)20(31)24-14(4)22(33)27-11-18(29)17(27)8-9-19(30)26(6)7/h12-14,16-17H,8-11H2,1-7H3,(H,23,32)(H,24,31)(H,25,28)/t13-,14-,16-,17-/m0/s1
InChIKey
ZJCMGPGYWHSDPA-OTRWWLKZSA-N
Compound name
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[(2S)-2-[3-(dimethylamino)-3-oxopropyl]-3-oxoazetidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.27438 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.28166 215.5
[M+Na]+ 490.26360 234.2
[M-H]- 466.26710 230.5
[M+NH4]+ 485.30820 231.7
[M+K]+ 506.23754 227.2
[M+H-H2O]+ 450.27164 217.0
[M+HCOO]- 512.27258 209.4
[M+CH3COO]- 526.28823 255.0
[M+Na-2H]- 488.24905 219.7
[M]+ 467.27383 209.3
[M]- 467.27493 209.3
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

No patent data available for this compound.