2-[(2-azanyl-2-methyl-propanoyl)amino]-2-(1H-indol-3-yl)-3-propanoyl-3,4-dihydro-1H-isoquinolin-2-ium-6-carboxylic acid

Systemtic Name: 2-[(2-azanyl-2-methyl-propanoyl)amino]-2-(1H-indol-3-yl)-3-propanoyl-3,4-dihydro-1H-isoquinolin-2-ium-6-carboxylic acid Openeye Name: 2-[(2-amino-2-methyl-propanoyl)amino]-2-(1H-indol-3-yl)-3-propanoyl-3,4-dihydro-1H-isoquinolin-2-ium-6-carboxylic acid CAS Name: 2-[(2-amino-2-methyl-1-oxopropyl)amino]-2-(1H-indol-3-yl)-3-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-2-ium-6-carboxylic acid IUPAC Name: 2-[(2-amino-2-methylpropanoyl)amino]-2-(1H-indol-3-yl)-3-propanoyl-3,4-dihydro-1H-isoquinolin-2-ium-6-carboxylic acid Traditional Name: 2-[(2-amino-2-methyl-propanoyl)amino]-2-(1H-indol-3-yl)-3-propionyl-3,4-dihydro-1H-isoquinolin-2-ium-6-carboxylic acid Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CC2=C(C[N+]1(C3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N)C=CC(=C2)C(=O)O

Isomeric SMILES

CCC(=O)C1CC2=C(C[N+]1(C3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N)C=CC(=C2)C(=O)O

InChI

InChI=1S/C25H28N4O4/c1-4-22(30)20-12-17-11-15(23(31)32)9-10-16(17)14-29(20,28-24(33)25(2,3)26)21-13-27-19-8-6-5-7-18(19)21/h5-11,13,20,27H,4,12,14,26H2,1-3H3,(H-,28,31,32,33)/p+1