CID 465741

(2r)-2-acetamido-3-methyl-n-[(1s)-1-[(2r,3s)-3-[2-[[(1r)-2-methyl-1-phenyl-propyl]amino]-2-oxo-ethyl]oxiran-2-yl]-2-phenyl-ethyl]-3-methylsulfonyl-butanamide

Structural Information

Molecular Formula
C30H41N3O6S
SMILES
CC(C)[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)C
InChI
InChI=1S/C30H41N3O6S/c1-19(2)26(22-15-11-8-12-16-22)33-25(35)18-24-27(39-24)23(17-21-13-9-7-10-14-21)32-29(36)28(31-20(3)34)30(4,5)40(6,37)38/h7-16,19,23-24,26-28H,17-18H2,1-6H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-,26+,27+,28+/m0/s1
InChIKey
NVZPSLHDPHXXRY-VUSPDJBOSA-N
Compound name
(2R)-2-acetamido-3-methyl-N-[(1S)-1-[(2R,3S)-3-[2-[[(1R)-2-methyl-1-phenylpropyl]amino]-2-oxoethyl]oxiran-2-yl]-2-phenylethyl]-3-methylsulfonylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.2716 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.27888 220.7
[M+Na]+ 594.26082 219.0
[M-H]- 570.26432 228.7
[M+NH4]+ 589.30542 217.4
[M+K]+ 610.23476 217.7
[M+H-H2O]+ 554.26886 212.6
[M+HCOO]- 616.26980 230.0
[M+CH3COO]- 630.28545 261.3
[M+Na-2H]- 592.24627 219.2
[M]+ 571.27105 227.3
[M]- 571.27215 227.3
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

No patent data available for this compound.