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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(=O)C(C)[N+]1=CC=CC(=C1)C(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN(C(=O)C(C)[N+]1=CC=CC(=C1)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N4O6/c1-6-27-14(23)11-22(20-17(26)28-18(3,4)5)16(25)12(2)21-9-7-8-13(10-21)15(19)24/h7-10,12H,6,11H2,1-5H3,(H2-,19,20,24,26)/p+1