[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-(aminomethyl)-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-(aminomethyl)-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)-3-[[2-(aminomethyl)benzofuran-5-yl]sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[[2-(aminomethyl)-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-(aminomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[[2-(aminomethyl)benzofuran-5-yl]sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamic acid [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C30H39N3O8S MolecularWeight: 601.71096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OC(=C5)CN

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OC(=C5)CN

InChI

InChI=1S/C30H39N3O8S/c1-19(2)16-33(42(36,37)23-8-9-27-21(14-23)13-22(15-31)40-27)17-26(34)25(12-20-6-4-3-5-7-20)32-30(35)41-28-18-39-29-24(28)10-11-38-29/h3-9,13-14,19,24-26,28-29,34H,10-12,15-18,31H2,1-2H3,(H,32,35)/t24-,25-,26+,28?,29+/m0/s1