(2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylic Acid

HCID 19038612
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Basic information

Standard SMILES
CC(C(C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C1OC(=O)CC1C(=O)O
InChIKey
DESRYXGONDVTMT-WUXMJOGZSA-N
Molecular formula
C37H32N2O8
Average molar mass
632.7 g/mol

Names & identifiers

Preferred name
(2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylic Acid
IUPAC
2-[[(E)-3-(1,3-benzodioxol-5-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)carbamoyl]-5-oxooxolane-3-carboxylic acid

Names & synonyms

SCHEMBL6263709DESRYXGONDVTMT-WUXMJOGZSA-N(2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylic Acid

Database identifiers

PubChem CID
19038612

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
128 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
47

Related reactions

1 records
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Compound notes

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