2-azanyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 2-azanyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 2-amino-1-[4-(tert-butoxycarbonylamino)-4-oxo-butanoyl]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 2-amino-1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-amino-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 2-amino-1-[4-(tert-butoxycarbonylamino)-4-keto-butanoyl]-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C23H34N3O6+ MolecularWeight: 448.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=O)CCC(=O)[N+]1(CCCC1(C(=O)O)N)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(=O)CCC(=O)[N+]1(CCCC1(C(=O)O)N)CCCC2=CC=CC=C2

InChI

InChI=1S/C23H33N3O6/c1-22(2,3)32-21(31)25-18(27)12-13-19(28)26(16-8-14-23(26,24)20(29)30)15-7-11-17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16,24H2,1-3H3,(H-,25,27,29,30,31)/p+1