(phenylmethyl) (2S)-2-[[9-(3-iodanyl-2-oxidanyl-propyl)fluoren-9-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[9-(3-iodanyl-2-oxidanyl-propyl)fluoren-9-yl]carbonylamino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[9-(2-hydroxy-3-iodo-propyl)fluorene-9-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[9-(2-hydroxy-3-iodopropyl)-9-fluorenyl]-oxomethyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[9-(2-hydroxy-3-iodopropyl)fluorene-9-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[9-(2-hydroxy-3-iodo-propyl)fluorene-9-carbonyl]amino]-3-methyl-butyric acid benzyl ester Formula: C29H30INO4 MolecularWeight: 583.45727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)CC(CI)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)CC(CI)O

InChI

InChI=1S/C29H30INO4/c1-19(2)26(27(33)35-18-20-10-4-3-5-11-20)31-28(34)29(16-21(32)17-30)24-14-8-6-12-22(24)23-13-7-9-15-25(23)29/h3-15,19,21,26,32H,16-18H2,1-2H3,(H,31,34)/t21?,26-/m0/s1