N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-isoleucine

HCID 54543031
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Basic information

Standard SMILES
CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(=O)O
InChIKey
ZEOWGJFFHUBHOW-ZNDGOPKYSA-N
Molecular formula
C25H30N2O7
Average molar mass
470.5 g/mol

Names & identifiers

Preferred name
N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-isoleucine
IUPAC
(2R,3R)-2-[[(2S)-3-carboxy-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylpentanoic acid

Names & synonyms

SCHEMBL7757126ZEOWGJFFHUBHOW-ZNDGOPKYSA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-isoleucine

Database identifiers

PubChem CID
54543031

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
34

Related reactions

2 records
New reaction record

Linked notes

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