CID 11821079

(2s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-[(e)-hydroxyiminomethyl]phenyl]sulfonyl-isobutyl-amino]propyl]-3-methyl-2-[3-[(2-methylthiazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]butanamide

Structural Information

Molecular Formula
C34H46N6O6S2
SMILES
CC1=NC(=CS1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN(CC(C)C)S(=O)(=O)C4=CC=CC(=C4)/C=N/O)O
InChI
InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-9-12-27(16-29)18-35-44)21-31(41)30(17-26-10-7-6-8-11-26)37-33(42)32(24(3)4)40-15-14-38(34(40)43)20-28-22-47-25(5)36-28/h6-13,16,18,22-24,30-32,41,44H,14-15,17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1
InChIKey
MQVMIDPOEVFGMA-KKWNBLJUSA-N
Compound name
(2S)-N-[(2S,3R)-3-hydroxy-4-[[3-[(E)-hydroxyiminomethyl]phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

698.29205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 699.29933 256.3
[M+Na]+ 721.28127 252.4
[M-H]- 697.28477 263.7
[M+NH4]+ 716.32587 253.2
[M+K]+ 737.25521 250.4
[M+H-H2O]+ 681.28931 248.3
[M+HCOO]- 743.29025 258.5
[M+CH3COO]- 757.30590 279.9
[M+Na-2H]- 719.26672 250.0
[M]+ 698.29150 261.0
[M]- 698.29260 261.0
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.