4-[N-benzyl-N-(2-carboxy-1-methylethyl)aminoacetyl]-7-benzyloxyindole-2-carboxylic acid hydrochloride

HCID 70381925
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Basic information

Standard SMILES
CC(CC(=O)O)N(CC(=O)c1ccc(OCc2ccccc2)c2[nH]c(C(=O)O)cc12)Cc1ccccc1.Cl
InChIKey
VTQAWOYKVVKWEH-UHFFFAOYSA-N
Molecular formula
C29H29ClN2O6
Average molar mass
537 g/mol

Names & identifiers

Preferred name
4-[N-benzyl-N-(2-carboxy-1-methylethyl)aminoacetyl]-7-benzyloxyindole-2-carboxylic acid hydrochloride
IUPAC
4-[2-[benzyl(1-carboxypropan-2-yl)amino]acetyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid;hydrochloride

Names & synonyms

SCHEMBL10508345VTQAWOYKVVKWEH-UHFFFAOYSA-N4-[N-benzyl-N-(2-carboxy-1-methylethyl)aminoacetyl]-7-benzyloxyindole-2-carboxylic acid hydrochloride

Database identifiers

PubChem CID
70381925

Properties

Computed structural properties

Topological polar surface area
120 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
38

Related reactions

2 records
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Compound notes

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