Molecules/(3r,3as,4r,6ar)-4-(2-Methoxyethoxy)hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
(3r,3as,4r,6ar)-4-(2-Methoxyethoxy)hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
[(3R,3aS,4R,6aR)-3-(2-methoxyethoxy)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
Molecular Identity
(3r,3as,4r,6ar)-4-(2-Methoxyethoxy)hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
[(3R,3aS,4R,6aR)-3-(2-methoxyethoxy)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
PubChem CID: 53248867
2D Structure
Properties
C32H44N4O10S
Molecular Formula
676.80
Molecular Weight
g/mol
676.2778
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
179
TPSA
May have limited oral absorption
3
H-Bond Donors
13
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2C(CO3)OCCOC)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(O5)NCIsomeric SMILES
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(O5)NCSynonyms(5)
CHEMBL2041942(3r,3as,4r,6ar)-4-(2-Methoxyethoxy)hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamateBDBM50485231Q27468006ZLP
Data from PubChem (NCBI)
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Molecular Structure
(3r,3as,4r,6ar)-4-(2-Methoxyethoxy)hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
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Drug Network
Trials and conditions connected to (3r,3as,4r,6ar)-4-(2-Methoxyethoxy)hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
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