(S)-2-[4-(3-tert-butoxycarbonylaminopropoxy)-2,6-dichlorobenzoylamino]-3-[4-(2,6-dichlorobenzoylamino)phenyl]propionic acid methyl ester

HCID 89717547
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Basic information

Standard SMILES
COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(Cl)cc(OCCCNC(=O)OC(C)(C)C)cc1Cl
InChIKey
CVMYWLMDCLZZAZ-VWLOTQADSA-N
Molecular formula
C32H33Cl4N3O7
Average molar mass
713.4 g/mol

Names & identifiers

Preferred name
(S)-2-[4-(3-tert-butoxycarbonylaminopropoxy)-2,6-dichlorobenzoylamino]-3-[4-(2,6-dichlorobenzoylamino)phenyl]propionic acid methyl ester
IUPAC
methyl (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[2,6-dichloro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoyl]amino]propanoate

Names & synonyms

SCHEMBL15145507CVMYWLMDCLZZAZ-VWLOTQADSA-N(S)-2-[4-(3-tert-butoxycarbonylaminopropoxy)-2,6-dichlorobenzoylamino]-3-[4-(2,6-dichlorobenzoylamino)phenyl]propionic acid methyl ester

Database identifiers

PubChem CID
89717547

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
132 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
15
Heavy atoms
46

Related reactions

2 records
New reaction record

Compound notes

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