(1S,2S)-2-[(1R)-1-azanyl-1-(9-methyl-9H-xanthen-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(1R)-1-azanyl-1-(9-methyl-9H-xanthen-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(1R)-1-amino-2-hydroxy-1-(9-methyl-9H-xanthen-1-yl)-2-oxo-ethyl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-[(1R)-1-amino-2-hydroxy-1-(9-methyl-9H-xanthen-1-yl)-2-oxoethyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-[(1R)-1-amino-2-hydroxy-1-(9-methyl-9H-xanthen-1-yl)-2-oxoethyl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(1R)-1-amino-2-hydroxy-2-keto-1-(9-methyl-9H-xanthen-1-yl)ethyl]cyclopropanecarboxylic acid Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2OC3=CC=CC(=C13)C(C4CC4C(=O)O)(C(=O)O)N

Isomeric SMILES

CC1C2=CC=CC=C2OC3=CC=CC(=C13)[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N

InChI

InChI=1S/C20H19NO5/c1-10-11-5-2-3-7-15(11)26-16-8-4-6-13(17(10)16)20(21,19(24)25)14-9-12(14)18(22)23/h2-8,10,12,14H,9,21H2,1H3,(H,22,23)(H,24,25)/t10?,12-,14-,20-/m0/s1