(2S)-2-[[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[(phenylmethyl)carbamoylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]sulfonylprolyl]amino]propionic acid Formula: C24H24F6N4O6S MolecularWeight: 610.525979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NC(CNC(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CNC(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H24F6N4O6S/c25-23(26,27)15-9-16(24(28,29)30)11-17(10-15)41(39,40)34-8-4-7-19(34)20(35)33-18(21(36)37)13-32-22(38)31-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,33,35)(H,36,37)(H2,31,32,38)/t18-,19-/m0/s1