3-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]-4-fluoranyl-benzoic acid Openeye Name: 3-[[(4S)-4-amino-5-methoxy-5-oxo-pentanoyl]amino]-4-fluoro-benzoic acid CAS Name: 3-[[(4S)-4-amino-5-methoxy-1,5-dioxopentyl]amino]-4-fluorobenzoic acid IUPAC Name: 3-[[(4S)-4-amino-5-methoxy-5-oxopentanoyl]amino]-4-fluorobenzoic acid Traditional Name: 3-[[(4S)-4-amino-5-keto-5-methoxy-pentanoyl]amino]-4-fluoro-benzoic acid Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=C(C=CC(=C1)C(=O)O)F)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=C(C=CC(=C1)C(=O)O)F)N

InChI

InChI=1S/C13H15FN2O5/c1-21-13(20)9(15)4-5-11(17)16-10-6-7(12(18)19)2-3-8(10)14/h2-3,6,9H,4-5,15H2,1H3,(H,16,17)(H,18,19)/t9-/m0/s1