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

HCID 53679369
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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)CC)c1ccccc1
InChIKey
BFNDXKDRJXXFEU-WZSVNGJASA-N
Molecular formula
C34H41N3O6
Average molar mass
587.7 g/mol

Names & identifiers

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

Names & synonyms

BFNDXKDRJXXFEU-WZSVNGJASA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-isoleucine (S)-alpha-ethylbenzylamide

Database identifiers

PubChem CID
53679369

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
134 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
16
Heavy atoms
43

Related reactions

2 records
New reaction record

Linked notes

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