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

Systemtic Name: 3-[[3-chloranyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-chloro-propanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[3-chloro-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[3-chloro-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-chloro-propanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C16H18ClFN2O6 MolecularWeight: 388.775323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCl)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCl)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C16H18ClFN2O6/c17-7-12(15(24)19-11(6-14(22)23)13(21)8-18)20-16(25)26-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,19,24)(H,20,25)(H,22,23)