2-[3(S)-(tert-butoxycarbonyl)amino-5(S)-(p-tert-butyl-benzyl)-2(S)-hydroxy-6-methyl-heptyl]-N-butyl-acrylamide

HCID 54501741

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

Related reactions

11 records

Compound notes

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