2-[(3R,5S)-1-[(3R)-5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-indol-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxy-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanoic acid

Systemtic Name: 2-[(3R,5S)-1-[(3R)-5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-indol-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxy-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanoic acid Openeye Name: 2-[(3R,5S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxy-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetic acid CAS Name: 2-[[(3R,5S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-3-indolyl]-5-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]oxy]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetic acid IUPAC Name: 2-[(3R,5S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxy-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetic acid Traditional Name: 2-[(3R,5S)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-3-(2-methoxyphenyl)indolin-3-yl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]oxy-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetic acid Formula: C36H43ClN4O11S MolecularWeight: 775.26482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(C(=O)O)OC1CC(N(C1)C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)C(=O)N(C)C

Isomeric SMILES

CC(C)(CO)NC(C(=O)O)O[C@@H]1C[C@H](N(C1)[C@]2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)C(=O)N(C)C

InChI

InChI=1S/C36H43ClN4O11S/c1-35(2,20-42)38-31(33(44)45)52-23-17-27(32(43)39(3)4)40(19-23)36(24-10-8-9-11-28(24)50-6)25-16-21(37)12-14-26(25)41(34(36)46)53(47,48)30-15-13-22(49-5)18-29(30)51-7/h8-16,18,23,27,31,38,42H,17,19-20H2,1-7H3,(H,44,45)/t23-,27+,31?,36+/m1/s1