2-{2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester

HCID 70060263
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CC(NC(=O)N1CCCCCC1)C(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)OC(C)(C)C
InChIKey
RIYNLCJEWJDQPB-UHFFFAOYSA-N
Molecular formula
C30H49N3O5
Average molar mass
531.7 g/mol
Monoisotopic mass
531.36722167

Names & identifiers

Preferred name
2-{2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester
IUPAC
tert-butyl 2-[[2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate

Names & synonyms

SCHEMBL7342868RIYNLCJEWJDQPB-UHFFFAOYSA-N2-{2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(4-tert-butoxy-phenyl)-propionic acid tert-butyl ester

Database identifiers

PubChem CID
70060263

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
97 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
38

Related reactions

1 records
New reaction record

Compound notes

Loading…