[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[2-methylpropyl-[[(3Z)-2-oxidanylidene-3-[(4-phenylbutylamino)methylidene]-1H-indol-5-yl]sulfonyl]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-[2-methylpropyl-[[(3Z)-2-oxidanylidene-3-[(4-phenylbutylamino)methylidene]-1H-indol-5-yl]sulfonyl]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-2-hydroxy-3-[isobutyl-[(3Z)-2-oxo-3-[(4-phenylbutylamino)methylene]indolin-5-yl]sulfonyl-amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[(3Z)-2-oxo-3-[(4-phenylbutylamino)methylidene]-1H-indol-5-yl]sulfonyl]amino]-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)-3-hydroxy-4-[2-methylpropyl-[[(3Z)-2-oxo-3-[(4-phenylbutylamino)methylidene]-1H-indol-5-yl]sulfonyl]amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[(3Z)-2-keto-3-[(4-phenylbutylamino)methylene]indolin-5-yl]sulfonyl-amino]propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C40H50N4O8S MolecularWeight: 746.912

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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)NC(=O)C5=CNCCCCC6=CC=CC=C6

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC\5=C(C=C4)NC(=O)/C5=C\NCCCCC6=CC=CC=C6

InChI

InChI=1S/C40H50N4O8S/c1-27(2)24-44(25-36(45)35(21-29-14-7-4-8-15-29)43-40(47)52-37-26-51-39-31(37)18-20-50-39)53(48,49)30-16-17-34-32(22-30)33(38(46)42-34)23-41-19-10-9-13-28-11-5-3-6-12-28/h3-8,11-12,14-17,22-23,27,31,35-37,39,41,45H,9-10,13,18-21,24-26H2,1-2H3,(H,42,46)(H,43,47)/b33-23-/t31-,35-,36+,37-,39+/m0/s1