3-[(2S)-3-[4-(1-benzyloxycarbonyl-4-piperidyloxy)phenyl]-2-(t-butoxycarbonylamino)propoxy]-4-iodobenzonitrile

HCID 68834151
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@H](COc1cc(C#N)ccc1I)Cc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIKey
ZRHNEQYFACAYKQ-MHZLTWQESA-N
Molecular formula
C34H38IN3O6
Average molar mass
711.6 g/mol
Monoisotopic mass
711.18053

Names & identifiers

Preferred name
3-[(2S)-3-[4-(1-benzyloxycarbonyl-4-piperidyloxy)phenyl]-2-(t-butoxycarbonylamino)propoxy]-4-iodobenzonitrile
IUPAC
benzyl 4-[4-[(2S)-3-(5-cyano-2-iodophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenoxy]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3907726ZRHNEQYFACAYKQ-MHZLTWQESA-N3-[(2S)-3-[4-(1-benzyloxycarbonyl-4-piperidyloxy)phenyl]-2-(t-butoxycarbonylamino)propoxy]-4-iodobenzonitrile

Database identifiers

PubChem CID
68834151

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
44

Related reactions

2 records
New reaction record

Compound notes

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