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N-Isoamyl-N-(6-hydroxy naphthalene-2-sulfonyl)-D-valine

HCID 67155085
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Basic information

Standard SMILES
CC(C)CCN([C@@H](C(=O)O)C(C)C)S(=O)(=O)c1ccc2cc(O)ccc2c1
InChIKey
KCJYREAUNWVNFO-LJQANCHMSA-N
Molecular formula
C20H27NO5S
Average molar mass
393.5 g/mol

Names & identifiers

Preferred name
N-Isoamyl-N-(6-hydroxy naphthalene-2-sulfonyl)-D-valine
IUPAC
(2R)-2-[(6-hydroxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanoic acid

Names & synonyms

SCHEMBL1770026KCJYREAUNWVNFO-LJQANCHMSA-NN-Isoamyl-N-(6-hydroxy naphthalene-2-sulfonyl)-D-valine

Database identifiers

PubChem CID
67155085

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
598

Related reactions

1 records
New reaction record
HRID 77319 reaction equation
HRID 77319As productuspto-grants-2014_09

Compound notes

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