Basic information
- Standard SMILES
C=C(C[C@H](O)[C@H](C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCC- InChIKey
YCXHYEYBRKZCRP-URORMMCBSA-N- Molecular formula
- C31H52N2O4
- Average molar mass
- 516.8 g/mol
Names & identifiers
- Preferred name
- 2-[3(S)-(tert-butoxycarbonyl)amino-5(S)-(p-tert-butyl-benzyl)-2(S)-hydroxy-6-methyl-heptyl]-N-butyl-acrylamide
- IUPAC
- tert-butyl N-[(4S,5S,7S)-2-(butylcarbamoyl)-7-[(4-tert-butylphenyl)methyl]-4-hydroxy-8-methylnon-1-en-5-yl]carbamate
Names & synonyms
SCHEMBL8905014YCXHYEYBRKZCRP-URORMMCBSA-N2-[3(S)-(tert-butoxycarbonyl)amino-5(S)-(p-tert-butyl-benzyl)-2(S)-hydroxy-6-methyl-heptyl]-N-butyl-acrylamideN-Tert-butoxycarbonyl-2-methylene-4 (S)-hydroxy-5(S)-amino-7(S)-isopropyl-8-(p-tert-butyl-phenyl)-octanoic acid (N-butyl)amideN-Tert-butoxycarbonyl-2-methylene-4(S)-hydroxy-5(S)-amino-7(S)-isopropyl-8-(p-tert-butyl-phenyl)-octanoic acid (N-butyl)amideN-tert-butoxycarbonyl-2-methylene-4-(S)-hydroxy-5-(S)-amino-7(S)-isopropyl-8-(p-tert-butyl-phenyl)-octanoic acid (N-butyl)amide
Database identifiers
- PubChem CID
- 54501741
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 712
Related reactions
11 records
Compound notes
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