2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propanoylamino]ethanoate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[3-(3-aminocarbonylpyridin-1-ium-1-yl)propanoylamino]ethanoate Openeye Name: 2-(tert-butoxycarbonylamino)ethyl 2-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]acetate CAS Name: 2-[[3-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxopropyl]amino]acetic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]acetate Traditional Name: 2-[3-(3-carbamoylpyridin-1-ium-1-yl)propanoylamino]acetic acid 2-(tert-butoxycarbonylamino)ethyl ester Formula: C18H27N4O6+ MolecularWeight: 395.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCOC(=O)CNC(=O)CC[N+]1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCOC(=O)CNC(=O)CC[N+]1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C18H26N4O6/c1-18(2,3)28-17(26)20-7-10-27-15(24)11-21-14(23)6-9-22-8-4-5-13(12-22)16(19)25/h4-5,8,12H,6-7,9-11H2,1-3H3,(H3-,19,20,21,23,25,26)/p+1