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

Systemtic Name: 5-fluoranyl-3-[[(2S)-3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[(2S)-3-methyl-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-3-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-3-methyl-2-[(4-nitrobenzyl)oxycarbonylamino]butanoyl]amino]valeric acid Formula: C18H22FN3O8 MolecularWeight: 427.380983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O8/c1-10(2)16(17(26)20-13(7-15(24)25)14(23)8-19)21-18(27)30-9-11-3-5-12(6-4-11)22(28)29/h3-6,10,13,16H,7-9H2,1-2H3,(H,20,26)(H,21,27)(H,24,25)/t13?,16-/m0/s1