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(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-4-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)benzenesulfonamido]-1-phenylbutan-2-yl]carbamate

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-4-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)benzenesulfonamido]-1-phenylbutan-2-yl]carbamate

CAS: 1971057-59-6

Formula: C34H45N3O11S

SMILES: [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(NC(=O)O[C@H]2CO[C@@]3([H])OCC[C@@]23[H])C=C1

IUPAC: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-4-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)benzenesulfonamido]-1-phenylbutan-2-yl]carbamate

InChI: InChI=1S/C34H45N3O11S/c1-21(2)17-37(49(41,42)24-10-8-23(9-11-24)35-33(39)47-29-19-45-31-25(29)12-14-43-31)18-28(38)27(16-22-6-4-3-5-7-22)36-34(40)48-30-20-46-32-26(30)13-15-44-32/h3-11,21,25-32,38H,12-20H2,1-2H3,(H,35,39)(H,36,40)/t25-,26-,27-,28+,29-,30-

Composition: C (58.02%), H (6.44%), N (5.97%), O (25.01%), S (4.56%)

Molar Mass: 703.8

Atom Count: 94

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 8
Exact Mass 703.277480455
Formal Charge 0
FSP3 0.59
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 3
InChIKey QAEABAUOBFKJOZ-KDWZEFHUSA-N
Lipinski's Rule of Five
Molar Refractivity 176
Topological Polar Surface Area 171.19
Polarizability 70.14
Ring Count 6
Rotatable Bond Count 14

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1971057-59-6 $23.46-$238.68$23.46$89.76$238.68
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