Vaniprevir
(1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide
Molecular Identity
Vaniprevir
(1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide
PubChem CID: 24765256
2D Structure
Properties
C38H55N5O9S
Molecular Formula
757.90
Molecular Weight
g/mol
757.3720
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
189
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
1550
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Vaniprevir923590-37-8MK-7009vanihepMK7009CV3X74AO1HMK 7009DTXSID201029738(1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamidevaniprevirum(1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo(21.2.1.14,7.06,11)heptacosa-6(11),7,9-triene-24-carboxamideRefChem:193707DTXCID901514940CHEBI:136047Vaniprevir [USAN:INN]
Data from PubChem (NCBI)
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