(2R,3S)-1-[(2R)-2-[(5-aminocarbonyl-2-fluoranyl-phenyl)amino]-2-(4-fluoranyl-3-methoxy-phenyl)ethanoyl]-2-[5-(dimethylcarbamoylamino)-2-ethylsulfonyl-phenyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3S)-1-[(2R)-2-[(5-aminocarbonyl-2-fluoranyl-phenyl)amino]-2-(4-fluoranyl-3-methoxy-phenyl)ethanoyl]-2-[5-(dimethylcarbamoylamino)-2-ethylsulfonyl-phenyl]pyrrolidine-3-carboxylic acid Openeye Name: (2R,3S)-1-[(2R)-2-(5-carbamoyl-2-fluoro-anilino)-2-(4-fluoro-3-methoxy-phenyl)acetyl]-2-[5-(dimethylcarbamoylamino)-2-ethylsulfonyl-phenyl]pyrrolidine-3-carboxylic acid CAS Name: (2R,3S)-1-[(2R)-2-(5-carbamoyl-2-fluoroanilino)-2-(4-fluoro-3-methoxyphenyl)-1-oxoethyl]-2-[5-[[dimethylamino(oxo)methyl]amino]-2-ethylsulfonylphenyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3S)-1-[(2R)-2-(5-carbamoyl-2-fluoroanilino)-2-(4-fluoro-3-methoxyphenyl)acetyl]-2-[5-(dimethylcarbamoylamino)-2-ethylsulfonylphenyl]pyrrolidine-3-carboxylic acid Traditional Name: (2R,3S)-1-[(2R)-2-(5-carbamoyl-2-fluoro-anilino)-2-(4-fluoro-3-methoxy-phenyl)acetyl]-2-[5-(dimethylcarbamoylamino)-2-esyl-phenyl]pyrrolidine-3-carboxylic acid Formula: C32H35F2N5O8S MolecularWeight: 687.710806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)NC(=O)N(C)C)C2C(CCN2C(=O)C(C3=CC(=C(C=C3)F)OC)NC4=C(C=CC(=C4)C(=O)N)F)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=C(C=C(C=C1)NC(=O)N(C)C)[C@H]2[C@H](CCN2C(=O)[C@@H](C3=CC(=C(C=C3)F)OC)NC4=C(C=CC(=C4)C(=O)N)F)C(=O)O

InChI

InChI=1S/C32H35F2N5O8S/c1-5-48(45,46)26-11-8-19(36-32(44)38(2)3)16-21(26)28-20(31(42)43)12-13-39(28)30(41)27(17-6-10-23(34)25(15-17)47-4)37-24-14-18(29(35)40)7-9-22(24)33/h6-11,14-16,20,27-28,37H,5,12-13H2,1-4H3,(H2,35,40)(H,36,44)(H,42,43)/t20-,27+,28+/m0/s1