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

Systemtic Name: (1S,2S,3S)-2-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]-3-ethyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-oxo-1-(9H-xanthen-9-ylmethyl)ethyl]-3-ethyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-ethyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-ethylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-keto-1-(9H-xanthen-9-ylmethyl)ethyl]-3-ethyl-cyclopropanecarboxylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O

Isomeric SMILES

CC[C@@H]1[C@@H]([C@H]1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)/t12-,18+,19+,22?/m1/s1