01
Ingredients
(2s,3s)-n-[(1s)-1-carbamoyl-3-methyl-butyl]-2-[[(2s)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide
C30H42N4O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,3s)-n-[(1s)-1-carbamoyl-3-methyl-butyl]-2-[[(2s)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide
- Molecular Formula
- C30H42N4O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)CC(C(=O)N)NC(=O)C(C(C(C)C)OC1=CC=C(C=C1)C=O)NC(=O)C(CC2=CC=CC=C2)N(C)C
- Isomeric SMILES
- CC(C)C[C@@H](C(=O)N)NC(=O)[C@H]([C@H](C(C)C)OC1=CC=C(C=C1)C=O)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C
- InChI
- InChI=1S/C30H42N4O5/c1-19(2)16-24(28(31)36)32-30(38)26(27(20(3)4)39-23-14-12-22(18-35)13-15-23)33-29(37)25(34(5)6)17-21-10-8-7-9-11-21/h7-15,18-20,24-27H,16-17H2,1-6H3,(H2,31,36)(H,32,38)(H,33,37)/t24-,25-,26-,27-/m0/s1
- Oral Bioavailability
- 15.660
- Drug Likeness
- 0.299
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Active Targets
ingredient target1 Targets