N-[(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[(4-methylphenyl)sulfonylamino]ethyl]disulfanyl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[(4-methylphenyl)sulfonylamino]ethyl]disulfanyl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R)-1-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(2R)-2-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(p-tolylsulfonylamino)ethyl]disulfanyl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[(4-methylphenyl)sulfonylamino]ethyl]disulfanyl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[(4-methylphenyl)sulfonylamino]ethyl]disulfanyl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R)-1-[(3aR,5R,6S,6aR)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[[(2R)-2-[(3aR,5R,6S,6aR)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(tosylamino)ethyl]disulfanyl]ethyl]-4-methyl-benzenesulfonamide Formula: C46H56N2O12S4 MolecularWeight: 957.20304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSSCC(C2C(C3C(O2)OC(O3)(C)C)OCC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)C6C(C7C(O6)OC(O7)(C)C)OCC8=CC=CC=C8

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSSC[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)[C@@H]6[C@@H]([C@@H]7[C@H](O6)OC(O7)(C)C)OCC8=CC=CC=C8

InChI

InChI=1S/C46H56N2O12S4/c1-29-17-21-33(22-18-29)63(49,50)47-35(37-39(53-25-31-13-9-7-10-14-31)41-43(55-37)59-45(3,4)57-41)27-61-62-28-36(48-64(51,52)34-23-19-30(2)20-24-34)38-40(54-26-32-15-11-8-12-16-32)42-44(56-38)60-46(5,6)58-42/h7-24,35-44,47-48H,25-28H2,1-6H3/t35-,36-,37+,38+,39-,40-,41+,42+,43+,44+/m0/s1