CID 460479

Chembl357009

Structural Information

Molecular Formula
C30H45N3O8
SMILES
CC(C)(CO)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)CO)O)O
InChI
InChI=1S/C30H45N3O8/c1-29(2,19-34)40-27(38)32-23(15-21-11-7-5-8-12-21)25(36)17-31-18-26(37)24(16-22-13-9-6-10-14-22)33-28(39)41-30(3,4)20-35/h5-14,23-26,31,34-37H,15-20H2,1-4H3,(H,32,38)(H,33,39)/t23-,24-,25+,26+/m0/s1
InChIKey
VIOAGXZZZUYDKF-QEGGNFSNSA-N
Compound name
(1-hydroxy-2-methylpropan-2-yl) N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

575.3207 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.32798 233.7
[M+Na]+ 598.30992 226.9
[M-H]- 574.31342 232.1
[M+NH4]+ 593.35452 232.1
[M+K]+ 614.28386 227.9
[M+H-H2O]+ 558.31796 224.3
[M+HCOO]- 620.31890 242.7
[M+CH3COO]- 634.33455 255.0
[M+Na-2H]- 596.29537 231.0
[M]+ 575.32015 233.6
[M]- 575.32125 233.6
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

patents stripe