General Information of the Compound
| Compound ID |
CP0575055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-[(2S)-oxane-2-carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H46N2O5
|
||||||||||||||||||
| Molecular Weight |
550.74
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1)C(=O)[C@@H]1CCCCO1)C(O)=O)C(C)(C)C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H46N2O5/c1-32(2,3)23-16-17-24(39-7)22(19-23)20-34-27-26(33(4,5)6)29(31(37)38)35(28(27)21-13-9-8-10-14-21)30(36)25-15-11-12-18-40-25/h8-10,13-14,16-17,19,25-29,34H,11-12,15,18,20H2,1-7H3,(H,37,38)/t25-,26-,27-,28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILVHWAYOTZNMME-ZIUUJSQJSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound