Tert-butyl 3-[[benzylsulfonyl(methyl)amino]methyl]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

HCID 68643103
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Basic information

Standard SMILES
COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN(C)S(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC
InChIKey
XEUOGXYJVGHRJG-UHFFFAOYSA-N
Molecular formula
C34H51N3O8S
Average molar mass
661.9 g/mol
Monoisotopic mass
661.33968677

Names & identifiers

Preferred name
Tert-butyl 3-[[benzylsulfonyl(methyl)amino]methyl]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-[[benzylsulfonyl(methyl)amino]methyl]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL3438532

Database identifiers

PubChem CID
68643103

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
123 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
17
Heavy atoms
46

Related reactions

2 records
New reaction record

Compound notes

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