CID 481942

[1r*,2s*,3r*)]-n-[3-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1(phenylmethyl)propyl]-n,n-(methoxycarbonyl)-l-valinamide

Structural Information

Molecular Formula
C32H48N4O7
SMILES
CC(C)[C@@H](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)NC(=O)OC
InChI
InChI=1S/C32H48N4O7/c1-21(2)28(36-30(40)42-6)29(39)34-24(17-22-13-9-7-10-14-22)26(37)19-33-20-27(38)25(18-23-15-11-8-12-16-23)35-31(41)43-32(3,4)5/h7-16,21,24-28,33,37-38H,17-20H2,1-6H3,(H,34,39)(H,35,41)(H,36,40)/t24-,25-,26+,27+,28-/m0/s1
InChIKey
WBIJWFMMEXOOSI-NIDMROIKSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.3523 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.35958 245.6
[M+Na]+ 623.34152 237.7
[M-H]- 599.34502 246.4
[M+NH4]+ 618.38612 232.8
[M+K]+ 639.31546 240.1
[M+H-H2O]+ 583.34956 235.4
[M+HCOO]- 645.35050 217.0
[M+CH3COO]- 659.36615 267.9
[M+Na-2H]- 621.32697 238.1
[M]+ 600.35175 245.6
[M]- 600.35285 245.6
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.