(3S)-3-[[(2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-6-fluoranyl-4,5-bis(oxidanylidene)hexanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-6-fluoranyl-4,5-bis(oxidanylidene)hexanoic acid Openeye Name: (3S)-3-[[(2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-methyl-butanoyl]amino]-6-fluoro-4,5-dioxo-hexanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(4-chlorophenyl)methoxy-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-6-fluoro-4,5-dioxohexanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[(4-chlorophenyl)methoxycarbonylamino]-3-methylbutanoyl]amino]-6-fluoro-4,5-dioxohexanoic acid Traditional Name: (3S)-3-[[(2S)-2-[(4-chlorobenzyl)oxycarbonylamino]-3-methyl-butanoyl]amino]-6-fluoro-4,5-diketo-hexanoic acid Formula: C19H22ClFN2O7 MolecularWeight: 444.838583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClFN2O7/c1-10(2)16(23-19(29)30-9-11-3-5-12(20)6-4-11)18(28)22-13(7-15(25)26)17(27)14(24)8-21/h3-6,10,13,16H,7-9H2,1-2H3,(H,22,28)(H,23,29)(H,25,26)/t13-,16-/m0/s1