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

Systemtic Name: 2-azanyl-1-(4-methylpentyl)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 2-amino-1-[4-(tert-butoxycarbonylamino)-4-oxo-butanoyl]-1-isohexyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 2-amino-1-(4-methylpentyl)-1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4-dioxobutyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-amino-1-(4-methylpentyl)-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 2-amino-1-[4-(tert-butoxycarbonylamino)-4-keto-butanoyl]-1-isohexyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C20H36N3O6+ MolecularWeight: 414.51634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O6/c1-14(2)8-6-12-23(13-7-11-20(23,21)17(26)27)16(25)10-9-15(24)22-18(28)29-19(3,4)5/h14H,6-13,21H2,1-5H3,(H-,22,24,26,27,28)/p+1