1-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-1-(phenylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonyl-1-(phenylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-1-(phenylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]-1-[anilino(oxo)methyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]-1-(phenylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(1-alanylprolyl)-1-(phenylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)[N+]2(CCCC2C(=O)O)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)[N+]2(CCCC2C(=O)O)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H26N4O5/c1-13(21)17(25)23-11-5-9-15(23)18(26)24(12-6-10-16(24)19(27)28)20(29)22-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,21H2,1H3,(H-,22,27,28,29)/p+1