2-[[4-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]phenyl]carbonylamino]ethanoic acid; sodium

Systemtic Name: 2-[[4-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]phenyl]carbonylamino]ethanoic acid; sodium Openeye Name: 2-[[4-[[(1S)-2-methyl-1-[(2S)-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]benzoyl]amino]acetic acid; sodium CAS Name: 2-[[[4-[[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[oxo-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]methyl]-1-pyrrolidinyl]butan-2-yl]amino]-oxomethyl]phenyl]-oxomethyl]amino]acetic acid; sodium IUPAC Name: 2-[[4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoyl]amino]acetic acid; sodium Traditional Name: 2-[[4-[[(1S)-2-methyl-1-[(2S)-2-[(3,3,3-trifluoro-1-isopropyl-2-keto-propyl)carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]benzoyl]amino]acetic acid; sodium Formula: C26H33F3N4NaO7 MolecularWeight: 593.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(=O)NCC(=O)O.[Na]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NCC(=O)O.[Na]

InChI

InChI=1S/C26H33F3N4O7.Na/c1-13(2)19(21(36)26(27,28)29)31-24(39)17-6-5-11-33(17)25(40)20(14(3)4)32-23(38)16-9-7-15(8-10-16)22(37)30-12-18(34)35;/h7-10,13-14,17,19-20H,5-6,11-12H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,34,35);/t17-,19?,20-;/m0./s1