but-3-enyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-4,4-dimethyl-pentyl]carbamate

Systemtic Name: but-3-enyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-4,4-dimethyl-pentyl]carbamate Openeye Name: but-3-enyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenyl-butyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-4,4-dimethyl-pentyl]carbamate CAS Name: N-[5-[[(2R,3S)-3-[[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-oxomethyl]amino]-2-hydroxy-4-phenylbutyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-4,4-dimethylpentyl]carbamic acid but-3-enyl ester IUPAC Name: but-3-enyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenylbutyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-4,4-dimethylpentyl]carbamate Traditional Name: N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenyl-butyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-4,4-dimethyl-pentyl]carbamic acid but-3-enyl ester Formula: C36H49N3O11S MolecularWeight: 731.85276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=O)OCCC=C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(CCCNC(=O)OCCC=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=CC5=C(C=C4)OCO5

InChI

InChI=1S/C36H49N3O11S/c1-4-5-17-46-34(41)37-16-9-15-36(2,3)23-39(51(43,44)26-12-13-30-31(20-26)49-24-48-30)21-29(40)28(19-25-10-7-6-8-11-25)38-35(42)50-32-22-47-33-27(32)14-18-45-33/h4,6-8,10-13,20,27-29,32-33,40H,1,5,9,14-19,21-24H2,2-3H3,(H,37,41)(H,38,42)/t27-,28-,29+,32-,33+/m0/s1