(phenylmethyl) 2-aminocarbonyl-1-[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 2-aminocarbonyl-1-[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 2-carbamoyl-1-(2,5-diamino-5-oxo-pentanoyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 2-carbamoyl-1-(2,5-diamino-1,5-dioxopentyl)-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-carbamoyl-1-(2,5-diamino-5-oxopentanoyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 2-carbamoyl-1-(2,5-diamino-5-keto-pentanoyl)pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C18H25N4O5+ MolecularWeight: 377.4149

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C(CCC(=O)N)N)C(=O)OCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C(CCC(=O)N)N)C(=O)OCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C18H24N4O5/c19-13(8-9-15(20)23)17(25)22(10-4-7-14(22)16(21)24)18(26)27-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,19H2,(H3-,20,21,23,24)/p+1