5-fluoranyl-3-[[(2S)-3-methyl-2-(3-phenylpropoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-(3-phenylpropoxycarbonylamino)butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-3-methyl-2-(3-phenylpropoxycarbonylamino)butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(3-phenylpropoxy)methyl]amino]butyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-(3-phenylpropoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-3-methyl-2-(3-phenylpropoxycarbonylamino)butanoyl]amino]valeric acid Formula: C20H27FN2O6 MolecularWeight: 410.436583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C20H27FN2O6/c1-13(2)18(19(27)22-15(11-17(25)26)16(24)12-21)23-20(28)29-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15?,18-/m0/s1