(3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)-carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester

HCID 14927378

Basic information

Standard SMILES
CCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CCC[C@H]1C
InChIKey
AAMMIMKLTZWRAO-NEPJUHHUSA-N
Molecular formula
C16H28N2O5
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
(3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)-carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester
IUPAC
ethyl 2-[(3S,7R)-7-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetate

Names & synonyms

AAMMIMKLTZWRAO-NEPJUHHUSA-N(3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)-carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester(3S-cis)-Hexahydro-3-[[(1,1-dimethylethoxy)carbonyl]amino]-7-methyl-2-oxo-1H-azepine-1-acetic acid, ethyl ester

Database identifiers

PubChem CID
14927378
Nikkaji
J731.719K

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
84.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
23

Related reactions

7 records

Linked notes

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