[(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidin-4-yl]amino]ethanoyl]-2-cyano-4-methyl-pyrrolidin-3-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidin-4-yl]amino]ethanoyl]-2-cyano-4-methyl-pyrrolidin-3-yl] 3,4-dimethoxybenzoate Openeye Name: [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-piperidyl]amino]acetyl]-2-cyano-4-methyl-pyrrolidin-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-piperidinyl]amino]-1-oxoethyl]-2-cyano-4-methyl-3-pyrrolidinyl] ester IUPAC Name: [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]piperidin-4-yl]amino]acetyl]-2-cyano-4-methylpyrrolidin-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(2R)-1-[2-[[1-[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-piperidyl]amino]acetyl]-2-cyano-4-methyl-pyrrolidin-3-yl] ester Formula: C30H42N4O9 MolecularWeight: 602.67588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1OC(=O)C2=CC(=C(C=C2)OC)OC)C#N)C(=O)CNC3CCN(CC3)CC4C(C5C(O4)OC(O5)(C)C)O

Isomeric SMILES

CC1CN([C@@H](C1OC(=O)C2=CC(=C(C=C2)OC)OC)C#N)C(=O)CNC3CCN(CC3)C[C@@H]4[C@@H]([C@@H]5[C@H](O4)OC(O5)(C)C)O

InChI

InChI=1S/C30H42N4O9/c1-17-15-34(20(13-31)26(17)41-28(37)18-6-7-21(38-4)22(12-18)39-5)24(35)14-32-19-8-10-33(11-9-19)16-23-25(36)27-29(40-23)43-30(2,3)42-27/h6-7,12,17,19-20,23,25-27,29,32,36H,8-11,14-16H2,1-5H3/t17?,20-,23-,25+,26?,27-,29-/m1/s1