2-azanyl-3-[2-(5-bromanyl-1-benzofuran-7-yl)ethanoyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 2-azanyl-3-[2-(5-bromanyl-1-benzofuran-7-yl)ethanoyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-piperidine-1-carboxylic acid Openeye Name: 2-amino-3-[2-(5-bromobenzofuran-7-yl)acetyl]-3-tert-butoxycarbonyl-2-phenyl-piperidine-1-carboxylic acid CAS Name: 2-amino-3-[2-(5-bromo-7-benzofuranyl)-1-oxoethyl]-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-1-piperidinecarboxylic acid IUPAC Name: 2-amino-3-[2-(5-bromo-1-benzofuran-7-yl)acetyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpiperidine-1-carboxylic acid Traditional Name: 2-amino-3-[2-(5-bromobenzofuran-7-yl)acetyl]-3-tert-butoxycarbonyl-2-phenyl-piperidine-1-carboxylic acid Formula: C27H29BrN2O6 MolecularWeight: 557.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCN(C1(C2=CC=CC=C2)N)C(=O)O)C(=O)CC3=C4C(=CC(=C3)Br)C=CO4

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCN(C1(C2=CC=CC=C2)N)C(=O)O)C(=O)CC3=C4C(=CC(=C3)Br)C=CO4

InChI

InChI=1S/C27H29BrN2O6/c1-25(2,3)36-23(32)26(21(31)16-18-15-20(28)14-17-10-13-35-22(17)18)11-7-12-30(24(33)34)27(26,29)19-8-5-4-6-9-19/h4-6,8-10,13-15H,7,11-12,16,29H2,1-3H3,(H,33,34)