(1S,2S,3S)-2-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]-3-propyl-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-propyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-oxo-1-(9H-xanthen-9-ylmethyl)ethyl]-3-propyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-propyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-propylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-keto-1-(9H-xanthen-9-ylmethyl)ethyl]-3-propyl-cyclopropanecarboxylic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O

Isomeric SMILES

CCC[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/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)/t15-,19+,20+,23?/m1/s1