5-fluoranyl-4-oxidanylidene-3-[(1-phenylmethoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[(1-phenylmethoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]pentanoic acid Openeye Name: 3-[(1-benzyloxycarbonyl-4-sulfanyl-pyrrolidine-2-carbonyl)amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(4-mercapto-1-phenylmethoxycarbonyl-2-pyrrolidinyl)-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[(1-phenylmethoxycarbonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]pentanoic acid Traditional Name: 3-[(1-carbobenzoxy-4-mercapto-prolyl)amino]-5-fluoro-4-keto-valeric acid Formula: C18H21FN2O6S MolecularWeight: 412.432543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC(=O)O)C(=O)CF)C(=O)OCC2=CC=CC=C2)S

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC(=O)O)C(=O)CF)C(=O)OCC2=CC=CC=C2)S

InChI

InChI=1S/C18H21FN2O6S/c19-8-15(22)13(7-16(23)24)20-17(25)14-6-12(28)9-21(14)18(26)27-10-11-4-2-1-3-5-11/h1-5,12-14,28H,6-10H2,(H,20,25)(H,23,24)