N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-O-benzyl-D-threonine (S)-alpha-ethylbenzylamide

HCID 54057312
Substructure searchFind similar structures

Basic information

Standard SMILES
CC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)[C@H](C)OCc1ccccc1)c1ccccc1
InChIKey
LXDQKSZIZDYFDS-FMLONVOMSA-N
Molecular formula
C39H43N3O7
Average molar mass
665.8 g/mol

Names & identifiers

Preferred name
N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-O-benzyl-D-threonine (S)-alpha-ethylbenzylamide
IUPAC
(3S)-2-benzyl-4-oxo-4-[[(2R,3S)-1-oxo-3-phenylmethoxy-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]-3-(phenylmethoxycarbonylamino)butanoic acid

Names & synonyms

SCHEMBL7757905LXDQKSZIZDYFDS-FMLONVOMSA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-O-benzyl-D-threonine (S)-alpha-ethylbenzylamide

Database identifiers

PubChem CID
54057312

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
143 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
18
Heavy atoms
49

Related reactions

1 records
New reaction record

Linked notes

Loading…