(1S,2S)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(2S)-2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-oxo-1-(9H-xanthen-4-ylmethyl)ethyl]cyclopropanecarboxylic acid CAS Name: (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-4-yl)propan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-keto-1-(9H-xanthen-4-ylmethyl)ethyl]cyclopropanecarboxylic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(CC2=CC=CC3=C2OC4=CC=CC=C4C3)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1[C@@H]([C@H]1[C@@](CC2=CC=CC3=C2OC4=CC=CC=C4C3)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-14(15)18(22)23)10-13-6-3-5-12-8-11-4-1-2-7-16(11)26-17(12)13/h1-7,14-15H,8-10,21H2,(H,22,23)(H,24,25)/t14-,15-,20-/m0/s1