(1S,2S,3S)-2-(2-azanyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3-pentyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S,3S)-2-(2-azanyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3-pentyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-(1-amino-1-carboxy-3-phenyl-propyl)-3-pentyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-(2-amino-1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3-pentyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-(2-amino-1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3-pentylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-(1-amino-1-carboxy-3-phenyl-propyl)-3-amyl-cyclopropanecarboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C1C(CCC2=CC=CC=C2)(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCC[C@@H]1[C@@H]([C@H]1C(CCC2=CC=CC=C2)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C19H27NO4/c1-2-3-5-10-14-15(17(21)22)16(14)19(20,18(23)24)12-11-13-8-6-4-7-9-13/h4,6-9,14-16H,2-3,5,10-12,20H2,1H3,(H,21,22)(H,23,24)/t14-,15+,16+,19?/m1/s1