(1S,2S,3S)-2-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]-3-hexyl-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-hexyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-oxo-1-(9H-xanthen-9-ylmethyl)ethyl]-3-hexyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-hexyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-hexylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-keto-1-(9H-xanthen-9-ylmethyl)ethyl]-3-hexyl-cyclopropanecarboxylic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCC[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/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1