2-[2-[[(2S)-5-azanyl-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-[2-[[(2S)-5-azanyl-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-[2-[[(1S)-4-amino-1-[(4-chlorophenyl)methylcarbamoyl]butyl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-[2-[[[(2S)-5-amino-1-[(4-chlorophenyl)methylamino]-1-oxopentan-2-yl]amino]-oxomethyl]-4-methoxyphenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-[2-[[(2S)-5-amino-1-[(4-chlorophenyl)methylamino]-1-oxopentan-2-yl]carbamoyl]-4-methoxyphenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-[2-[[(1S)-4-amino-1-[(4-chlorobenzyl)carbamoyl]butyl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoro-4-(2-mesylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C38H35ClF4N6O6S MolecularWeight: 815.232713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F)C(=O)NC(CCCN)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F)C(=O)N[C@@H](CCCN)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C38H35ClF4N6O6S/c1-55-25-14-16-31(27(19-25)35(50)47-30(7-5-17-44)36(51)45-21-22-9-12-24(39)13-10-22)49-32(20-34(48-49)38(41,42)43)37(52)46-29-15-11-23(18-28(29)40)26-6-3-4-8-33(26)56(2,53)54/h3-4,6,8-16,18-20,30H,5,7,17,21,44H2,1-2H3,(H,45,51)(H,46,52)(H,47,50)/t30-/m0/s1