3-(((3S,6S,7R,8S)-8-benzyl-3-((tert-butoxycarbonyl)amino)-6-methyl-4-oxo-1,5-dioxonan-7-yl)oxy)propanoic acid

HCID 86701239

Basic information

Standard SMILES
C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)COC[C@H](Cc2ccccc2)[C@H]1OCCC(=O)O
InChIKey
PBIYZMYJBRRRHX-CAIZAGQASA-N
Molecular formula
C23H33NO8
Average molar mass
451.5 g/mol

Names & identifiers

Preferred name
3-(((3S,6S,7R,8S)-8-benzyl-3-((tert-butoxycarbonyl)amino)-6-methyl-4-oxo-1,5-dioxonan-7-yl)oxy)propanoic acid
IUPAC
3-[[(3S,6S,7R,8S)-8-benzyl-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1,5-dioxonan-7-yl]oxy]propanoic acid

Names & synonyms

SCHEMBL15366843PBIYZMYJBRRRHX-CAIZAGQASA-N3-(((3S,6S,7R,8S)-8-benzyl-3-((tert-butoxycarbonyl)amino)-6-methyl-4-oxo-1,5-dioxonan-7-yl)oxy)propanoic acid

Database identifiers

PubChem CID
86701239

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
32

Related reactions

3 records

Compound notes

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