2-[1-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-N-methyl-N-[(6-oxidanylidenepyran-3-yl)methyl]-3-phenyl-propanamide

Systemtic Name: 2-[1-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-N-methyl-N-[(6-oxidanylidenepyran-3-yl)methyl]-3-phenyl-propanamide Openeye Name: 2-[1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-2,5-dioxo-pyrrolidin-1-ium-1-yl]-N-methyl-N-[(6-oxopyran-3-yl)methyl]-3-phenyl-propanamide CAS Name: 2-[1-[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]-2,5-dioxo-1-pyrrolidin-1-iumyl]-N-methyl-N-[(6-oxo-3-pyranyl)methyl]-3-phenylpropanamide IUPAC Name: 2-[1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-2,5-dioxopyrrolidin-1-ium-1-yl]-N-methyl-N-[(6-oxopyran-3-yl)methyl]-3-phenylpropanamide Traditional Name: 2-[1-(1-alanylprolyl)-2,5-diketo-pyrrolidin-1-ium-1-yl]-N-[(6-ketopyran-3-yl)methyl]-N-methyl-3-phenyl-propionamide Formula: C28H33N4O7+ MolecularWeight: 537.58422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)[N+]2(C(=O)CCC2=O)C(CC3=CC=CC=C3)C(=O)N(C)CC4=COC(=O)C=C4)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)[N+]2(C(=O)CCC2=O)C(CC3=CC=CC=C3)C(=O)N(C)CC4=COC(=O)C=C4)N

InChI

InChI=1S/C28H33N4O7/c1-18(29)26(36)31-14-6-9-21(31)28(38)32(23(33)11-12-24(32)34)22(15-19-7-4-3-5-8-19)27(37)30(2)16-20-10-13-25(35)39-17-20/h3-5,7-8,10,13,17-18,21-22H,6,9,11-12,14-16,29H2,1-2H3/q+1