[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-bromanyl-3-(ethylaminomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-bromanyl-3-(ethylaminomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-3-[[2-bromo-3-(ethylaminomethyl)benzofuran-5-yl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[[2-bromo-3-(ethylaminomethyl)-5-benzofuranyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-bromo-3-(ethylaminomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-[[2-bromo-3-(ethylaminomethyl)benzofuran-5-yl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamic acid [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C32H42BrN3O8S MolecularWeight: 708.66018

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C(CC3=CC=CC=C3)NC(=O)OC4COC5C4CCO5)O)Br

Isomeric SMILES

CCNCC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N(C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC4CO[C@@H]5[C@H]4CCO5)O)CC(C)C)Br

InChI

InChI=1S/C32H42BrN3O8S/c1-4-34-16-25-24-15-22(10-11-28(24)43-30(25)33)45(39,40)36(17-20(2)3)18-27(37)26(14-21-8-6-5-7-9-21)35-32(38)44-29-19-42-31-23(29)12-13-41-31/h5-11,15,20,23,26-27,29,31,34,37H,4,12-14,16-19H2,1-3H3,(H,35,38)/t23-,26-,27+,29?,31+/m0/s1