(2S,4R)-1-((3R)-2-((tert-butoxycarbonyl)amino)-3,5-dimethylnon-8-enoyl)-4-hydroxypyrrolidine-2-carboxylic acid

HCID 86683245

Basic information

Standard SMILES
C=CCCC(C)C[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIKey
KFRMBZGDFZDMKS-IZTSSTLKSA-N
Molecular formula
C21H36N2O6
Average molar mass
412.5 g/mol

Names & identifiers

Preferred name
(2S,4R)-1-((3R)-2-((tert-butoxycarbonyl)amino)-3,5-dimethylnon-8-enoyl)-4-hydroxypyrrolidine-2-carboxylic acid
IUPAC
(2S,4R)-1-[(3R)-3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Names & synonyms

SCHEMBL13729666KFRMBZGDFZDMKS-IZTSSTLKSA-N(2S,4R)-1-((3R)-2-((tert-butoxycarbonyl)amino)-3,5-dimethylnon-8-enoyl)-4-hydroxypyrrolidine-2-carboxylic acid

Database identifiers

PubChem CID
86683245

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
116 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
29

Related reactions

3 records

Compound notes

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