[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[(3Z)-3-[[ethyl(2-pyridin-2-ylethyl)amino]methylidene]-2-oxidanylidene-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[(3Z)-3-[[ethyl(2-pyridin-2-ylethyl)amino]methylidene]-2-oxidanylidene-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-3-[[(3Z)-3-[[ethyl-[2-(2-pyridyl)ethyl]amino]methylene]-2-oxo-indolin-5-yl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[[(3Z)-3-[[ethyl-[2-(2-pyridinyl)ethyl]amino]methylidene]-2-oxo-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[(3Z)-3-[[ethyl(2-pyridin-2-ylethyl)amino]methylidene]-2-oxo-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-[[(3Z)-3-[[ethyl-[2-(2-pyridyl)ethyl]amino]methylene]-2-keto-indolin-5-yl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C39H49N5O8S MolecularWeight: 747.90006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=N1)C=C2C3=C(C=CC(=C3)S(=O)(=O)N(CC(C)C)CC(C(CC4=CC=CC=C4)NC(=O)OC5COC6C5CCO6)O)NC2=O

Isomeric SMILES

CCN(CCC1=CC=CC=N1)/C=C\2/C3=C(C=CC(=C3)S(=O)(=O)N(C[C@H]([C@H](CC4=CC=CC=C4)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6)O)CC(C)C)NC2=O

InChI

InChI=1S/C39H49N5O8S/c1-4-43(18-15-28-12-8-9-17-40-28)23-32-31-21-29(13-14-33(31)41-37(32)46)53(48,49)44(22-26(2)3)24-35(45)34(20-27-10-6-5-7-11-27)42-39(47)52-36-25-51-38-30(36)16-19-50-38/h5-14,17,21,23,26,30,34-36,38,45H,4,15-16,18-20,22,24-25H2,1-3H3,(H,41,46)(H,42,47)/b32-23-/t30-,34-,35+,36-,38+/m0/s1