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

Systemtic Name: (2R,3R)-1-[(2R)-2-[(5-aminocarbonyl-2-fluoranyl-phenyl)amino]-2-(4-fluoranyl-3-methoxy-phenyl)ethanoyl]-2-[2-ethylsulfonyl-5-(methoxycarbonylamino)phenyl]pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R)-1-[(2R)-2-(5-carbamoyl-2-fluoro-anilino)-2-(4-fluoro-3-methoxy-phenyl)acetyl]-2-[2-ethylsulfonyl-5-(methoxycarbonylamino)phenyl]pyrrolidine-3-carboxylic acid CAS Name: (2R,3R)-1-[(2R)-2-(5-carbamoyl-2-fluoroanilino)-2-(4-fluoro-3-methoxyphenyl)-1-oxoethyl]-2-[2-ethylsulfonyl-5-(methoxycarbonylamino)phenyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R)-1-[(2R)-2-(5-carbamoyl-2-fluoroanilino)-2-(4-fluoro-3-methoxyphenyl)acetyl]-2-[2-ethylsulfonyl-5-(methoxycarbonylamino)phenyl]pyrrolidine-3-carboxylic acid Traditional Name: (2R,3R)-1-[(2R)-2-(5-carbamoyl-2-fluoro-anilino)-2-(4-fluoro-3-methoxy-phenyl)acetyl]-2-[5-(carbomethoxyamino)-2-esyl-phenyl]pyrrolidine-3-carboxylic acid Formula: C31H32F2N4O9S MolecularWeight: 674.668986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=C(C=C1)NC(=O)OC)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)OC)[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/C31H32F2N4O9S/c1-4-47(43,44)25-10-7-18(35-31(42)46-3)15-20(25)27-19(30(40)41)11-12-37(27)29(39)26(16-5-9-22(33)24(14-16)45-2)36-23-13-17(28(34)38)6-8-21(23)32/h5-10,13-15,19,26-27,36H,4,11-12H2,1-3H3,(H2,34,38)(H,35,42)(H,40,41)/t19-,26-,27-/m1/s1