CID 471351

(2s)-n-[(1s,2r)-3-[benzenesulfonyl(propyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-methylsulfonyl-propanamide

Structural Information

Molecular Formula
C24H34N2O6S2
SMILES
CCCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H34N2O6S2/c1-4-15-26(34(31,32)21-13-9-6-10-14-21)17-23(27)22(16-20-11-7-5-8-12-20)25-24(28)19(2)18-33(3,29)30/h5-14,19,22-23,27H,4,15-18H2,1-3H3,(H,25,28)/t19-,22+,23-/m1/s1
InChIKey
IZDKUWYTJWRQCU-WTIAFYNJSA-N
Compound name
(2S)-N-[(2S,3R)-4-[benzenesulfonyl(propyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

510.18582 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.19310 218.4
[M+Na]+ 533.17504 217.1
[M-H]- 509.17854 221.7
[M+NH4]+ 528.21964 222.9
[M+K]+ 549.14898 213.5
[M+H-H2O]+ 493.18308 209.1
[M+HCOO]- 555.18402 224.3
[M+CH3COO]- 569.19967 241.8
[M+Na-2H]- 531.16049 218.2
[M]+ 510.18527 222.8
[M]- 510.18637 222.8
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