3-(2-(S)-Dibenzylamino-1-hydroxy-3-phenylpropyl)-4-benzyloxycarbonyl-1-allylpiperazin-2-one

HCID 69017080
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Basic information

Standard SMILES
C=CCN1CCN(C(=O)OCc2ccccc2)C(C(O)[C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)C1=O
InChIKey
WBLGZMDBRSTDEJ-WQNMWPLOSA-N
Molecular formula
C38H41N3O4
Average molar mass
603.7 g/mol
Monoisotopic mass
603.3097068

Names & identifiers

Preferred name
3-(2-(S)-Dibenzylamino-1-hydroxy-3-phenylpropyl)-4-benzyloxycarbonyl-1-allylpiperazin-2-one
IUPAC
benzyl 2-[(2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]-3-oxo-4-prop-2-enylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL4363475WBLGZMDBRSTDEJ-WQNMWPLOSA-N3-(2-(S)-Dibenzylamino-1-hydroxy-3-phenylpropyl)-4-benzyloxycarbonyl-1-allylpiperazin-2-one

Database identifiers

PubChem CID
69017080

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
73.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
45

Related reactions

1 records
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Compound notes

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