2-azanyl-1-(4-methylpentyl)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 2-azanyl-1-(4-methylpentyl)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 2-amino-1-[3-(tert-butoxycarbonylamino)propanoyl]-1-isohexyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 2-amino-1-(4-methylpentyl)-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-amino-1-(4-methylpentyl)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 2-amino-1-[3-(tert-butoxycarbonylamino)propanoyl]-1-isohexyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C19H36N3O5+ MolecularWeight: 386.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35N3O5/c1-14(2)8-6-12-22(13-7-10-19(22,20)16(24)25)15(23)9-11-21-17(26)27-18(3,4)5/h14H,6-13,20H2,1-5H3,(H-,21,24,25,26)/p+1