(1S)-2-[(2R)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S)-2-[(2R)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S)-2-[(1R)-1-amino-2-hydroxy-2-oxo-1-(9H-thioxanthen-9-ylmethyl)ethyl]cyclopropanecarboxylic acid CAS Name: (1S)-2-[(2R)-2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S)-2-[(2R)-2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S)-2-[(1R)-1-amino-2-hydroxy-2-keto-1-(9H-thioxanthen-9-ylmethyl)ethyl]cyclopropanecarboxylic acid Formula: C20H19NO4S MolecularWeight: 369.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(CC2C3=CC=CC=C3SC4=CC=CC=C24)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1[C@@H](C1[C@](CC2C3=CC=CC=C3SC4=CC=CC=C24)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C20H19NO4S/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15?,20+/m0/s1