1-(2-azanyl-3-methyl-butanoyl)-4-[2-[1-(triphenylmethyl)imidazol-4-yl]ethyl]isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-[2-[1-(triphenylmethyl)imidazol-4-yl]ethyl]isoquinoline-3-carboxylic acid Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-[2-[1-(triphenylmethyl)-4-imidazolyl]ethyl]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carboxylic acid Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-[2-(1-tritylimidazol-4-yl)ethyl]isoquinoline-3-carboxylic acid Formula: C39H36N4O3 MolecularWeight: 608.72814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O)N

InChI

InChI=1S/C39H36N4O3/c1-26(2)34(40)37(44)35-32-21-13-12-20-31(32)33(36(42-35)38(45)46)23-22-30-24-43(25-41-30)39(27-14-6-3-7-15-27,28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-21,24-26,34H,22-23,40H2,1-2H3,(H,45,46)