N-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]valine methyl ester oxalate

HCID 23725720
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Basic information

Standard SMILES
COC(=O)[C@@H](NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(C)C.O=C(O)C(=O)O
InChIKey
YLFOIVZCTKTKJY-KGLWNCEWSA-N
Molecular formula
C41H39N5O6
Average molar mass
697.8 g/mol

Names & identifiers

Preferred name
N-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]valine methyl ester oxalate
IUPAC
methyl (2S)-3-methyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]butanoate;oxalic acid

Names & synonyms

SCHEMBL1260666YLFOIVZCTKTKJY-KGLWNCEWSA-NN-[[2'-(1-Triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]-L-valine methyl ester oxalateN-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]valine methyl ester oxalate

Database identifiers

PubChem CID
23725720

Properties

Computed structural properties

Topological polar surface area
157 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
13
Heavy atoms
52

Related reactions

2 records
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Compound notes

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