1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(7-azanyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(7-azanyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(7-amino-1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[(7-amino-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(7-amino-1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(7-amino-1-keto-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H26N7O4+ MolecularWeight: 440.47564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2CC3=C(C=C(C=C3)N)C(=O)N2)C(=O)C(CC4=CN=CN4)N)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2CC3=C(C=C(C=C3)N)C(=O)N2)C(=O)C(CC4=CN=CN4)N)C(=O)N

InChI

InChI=1S/C21H25N7O4/c22-12-4-3-11-6-16(27-19(30)14(11)7-12)21(32)28(5-1-2-17(28)18(24)29)20(31)15(23)8-13-9-25-10-26-13/h3-4,7,9-10,15-17H,1-2,5-6,8,22-23H2,(H3-,24,25,26,27,29,30)/p+1