methyl N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(6-fluoranyl-3-oxidanylidene-1,2-dihydroisoindol-5-yl)amino]ethanoyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonyl-phenyl]carbamate

Systemtic Name: methyl N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(6-fluoranyl-3-oxidanylidene-1,2-dihydroisoindol-5-yl)amino]ethanoyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonyl-phenyl]carbamate Openeye Name: methyl N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(6-fluoro-3-oxo-isoindolin-5-yl)amino]acetyl]pyrrolidin-2-yl]-4-isopropylsulfonyl-phenyl]carbamate CAS Name: N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)amino]-1-oxoethyl]-2-pyrrolidinyl]-4-propan-2-ylsulfonylphenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)amino]acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate Traditional Name: N-[3-[(2R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-[(6-fluoro-3-keto-isoindolin-5-yl)amino]acetyl]pyrrolidin-2-yl]-4-isopropylsulfonyl-phenyl]carbamic acid methyl ester Formula: C33H37FN4O8S MolecularWeight: 668.732283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)OC)C2CCCN2C(=O)C(C3=CC(=C(C=C3)OC)OC)NC4=C(C=C5CNC(=O)C5=C4)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)OC)[C@H]2CCCN2C(=O)[C@@H](C3=CC(=C(C=C3)OC)OC)NC4=C(C=C5CNC(=O)C5=C4)F

InChI

InChI=1S/C33H37FN4O8S/c1-18(2)47(42,43)29-11-9-21(36-33(41)46-5)15-23(29)26-7-6-12-38(26)32(40)30(19-8-10-27(44-3)28(14-19)45-4)37-25-16-22-20(13-24(25)34)17-35-31(22)39/h8-11,13-16,18,26,30,37H,6-7,12,17H2,1-5H3,(H,35,39)(H,36,41)/t26-,30-/m1/s1