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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanyl-pentanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-hydroxy-pentanoic acid CAS Name: 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-hydroxy-valeric acid Formula: C18H25FN2O6 MolecularWeight: 384.399303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(CF)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(CF)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,14?,16-/m0/s1