1-[2,6-bis(azanyl)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)-7-oxidanylidene-7-phenylmethoxy-heptanoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-1-(2,6-diamino-7-benzyloxy-7-oxo-heptanoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2,6-diamino-1,7-dioxo-7-phenylmethoxyheptyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-1-(2,6-diamino-7-benzoxy-7-keto-heptanoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C24H36N3O7+ MolecularWeight: 478.55854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)O)C(=O)C(CCCC(C(=O)OCC2=CC=CC=C2)N)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)O)C(=O)C(CCCC(C(=O)OCC2=CC=CC=C2)N)N

InChI

InChI=1S/C24H35N3O7/c1-24(2,3)34-23(32)27(14-8-13-19(27)21(29)30)20(28)17(25)11-7-12-18(26)22(31)33-15-16-9-5-4-6-10-16/h4-6,9-10,17-19H,7-8,11-15,25-26H2,1-3H3/p+1