(1S,2S,3S)-2-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-xanthen-9-yl)propan-2-yl]-3-nonyl-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-nonyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-oxo-1-(9H-xanthen-9-ylmethyl)ethyl]-3-nonyl-cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-nonyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-[2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]-3-nonylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-[1-amino-2-hydroxy-2-keto-1-(9H-xanthen-9-ylmethyl)ethyl]-3-nonyl-cyclopropanecarboxylic acid Formula: C29H37NO5 MolecularWeight: 479.60778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(C1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCCC[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/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1