CID 9575145

[1s-[1r*,2s*(2s*,3r*)]]-[2-hydroxy-3-[[2-hydroxy-3-[[2-(methoxyimino)-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]amino]-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C32H48N4O6
SMILES
CC(C)(C)/C(=N\OC)/C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C32H48N4O6/c1-31(2,3)28(36-41-7)29(39)34-24(18-22-14-10-8-11-15-22)26(37)20-33-21-27(38)25(19-23-16-12-9-13-17-23)35-30(40)42-32(4,5)6/h8-17,24-27,33,37-38H,18-21H2,1-7H3,(H,34,39)(H,35,40)/b36-28-/t24-,25-,26+,27+/m0/s1
InChIKey
RNZBCCFMCNBANS-WKAZCQEHSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2E)-2-methoxyimino-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.35736 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.36464 242.0
[M+Na]+ 607.34658 235.7
[M-H]- 583.35008 244.3
[M+NH4]+ 602.39118 228.0
[M+K]+ 623.32052 236.9
[M+H-H2O]+ 567.35462 232.1
[M+HCOO]- 629.35556 254.7
[M+CH3COO]- 643.37121 266.3
[M+Na-2H]- 605.33203 238.4
[M]+ 584.35681 243.1
[M]- 584.35791 243.1
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.