(2R)-1-[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-2-[[[(3S)-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Formula: C21H25FN3O5- MolecularWeight: 418.438703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)[O-])NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])NC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O5/c1-12(2)18(20(28)24-9-3-4-16(24)21(29)30)23-19(27)13-10-17(26)25(11-13)15-7-5-14(22)6-8-15/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3,(H,23,27)(H,29,30)/p-1/t13-,16+,18-/m0/s1