(1S)-2-[(2S)-2-azanyl-4-(4-fluoranyl-3-methyl-phenyl)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S)-2-[(2S)-2-azanyl-4-(4-fluoranyl-3-methyl-phenyl)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S)-2-[(1S)-1-amino-1-carboxy-3-(4-fluoro-3-methyl-phenyl)-3-phenyl-propyl]cyclopropanecarboxylic acid CAS Name: (1S)-2-[(2S)-2-amino-4-(4-fluoro-3-methylphenyl)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S)-2-[(2S)-2-amino-4-(4-fluoro-3-methylphenyl)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S)-2-[(1S)-1-amino-1-carboxy-3-(4-fluoro-3-methyl-phenyl)-3-phenyl-propyl]cyclopropanecarboxylic acid Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CC(C2CC2C(=O)O)(C(=O)O)N)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(C[C@](C2C[C@@H]2C(=O)O)(C(=O)O)N)C3=CC=CC=C3)F

InChI

InChI=1S/C21H22FNO4/c1-12-9-14(7-8-18(12)22)16(13-5-3-2-4-6-13)11-21(23,20(26)27)17-10-15(17)19(24)25/h2-9,15-17H,10-11,23H2,1H3,(H,24,25)(H,26,27)/t15-,16?,17?,21-/m0/s1