5-fluoranyl-4-oxidanylidene-3-[[2-(phenylmethoxycarbonylamino)-3-thiophen-3-yl-propanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[2-(phenylmethoxycarbonylamino)-3-thiophen-3-yl-propanoyl]amino]pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-(3-thienyl)propanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(3-thiophenyl)propyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[2-(phenylmethoxycarbonylamino)-3-thiophen-3-ylpropanoyl]amino]pentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-(3-thienyl)propanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CSC=C2)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CSC=C2)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H21FN2O6S/c21-10-17(24)15(9-18(25)26)22-19(27)16(8-14-6-7-30-12-14)23-20(28)29-11-13-4-2-1-3-5-13/h1-7,12,15-16H,8-11H2,(H,22,27)(H,23,28)(H,25,26)