1-(2-azanylbutanoyl)-5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanylbutanoyl)-5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminobutanoyl)-1-tert-butoxycarbonyl-5-chloro-indolin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxobutyl)-5-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,3-dihydroindol-1-ium-2-carboxylic acid IUPAC Name: 1-(2-aminobutanoyl)-5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-1-ium-2-carboxylic acid Traditional Name: 1-(2-aminobutanoyl)-1-tert-butoxycarbonyl-5-chloro-indolin-1-ium-2-carboxylic acid Formula: C18H24ClN2O5+ MolecularWeight: 383.84656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[N+]1(C(CC2=C1C=CC(=C2)Cl)C(=O)O)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCC(C(=O)[N+]1(C(CC2=C1C=CC(=C2)Cl)C(=O)O)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C18H23ClN2O5/c1-5-12(20)15(22)21(17(25)26-18(2,3)4)13-7-6-11(19)8-10(13)9-14(21)16(23)24/h6-8,12,14H,5,9,20H2,1-4H3/p+1