1-[2,6-bis(azanyl)hexanoyl]-4-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-4-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-bromo-2-tert-butoxycarbonyl-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-bromo-1-(2,6-diamino-1-oxohexyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-bromo-1-(2,6-diaminohexanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-bromo-2-tert-butoxycarbonyl-1-(2,6-diaminohexanoyl)proline Formula: C16H28BrN3O5 MolecularWeight: 422.31462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CC(CN1C(=O)C(CCCCN)N)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(CC(CN1C(=O)C(CCCCN)N)Br)C(=O)O

InChI

InChI=1S/C16H28BrN3O5/c1-15(2,3)25-14(24)16(13(22)23)8-10(17)9-20(16)12(21)11(19)6-4-5-7-18/h10-11H,4-9,18-19H2,1-3H3,(H,22,23)