2-[2-[6-(2-chlorophenyl)-1-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]propanoylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[2-[6-(2-chlorophenyl)-1-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]propanoylamino]-2-methyl-propanoic acid Openeye Name: 2-[2-[6-(2-chlorophenyl)-1-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]propanoylamino]-2-methyl-propanoic acid CAS Name: 2-[[2-[6-(2-chlorophenyl)-1-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1-oxopropyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[2-[6-(2-chlorophenyl)-1-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]propanoylamino]-2-methylpropanoic acid Traditional Name: 2-[2-[6-(2-chlorophenyl)-1-methoxy-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]propanoylamino]-2-methyl-propionic acid Formula: C24H24ClN5O4 MolecularWeight: 481.93146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N3C(=NN=C3OC)CN=C2C4=CC=CC=C4Cl)C(=O)NC(C)(C)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N3C(=NN=C3OC)CN=C2C4=CC=CC=C4Cl)C(=O)NC(C)(C)C(=O)O

InChI

InChI=1S/C24H24ClN5O4/c1-13(21(31)27-24(2,3)22(32)33)14-9-10-18-16(11-14)20(15-7-5-6-8-17(15)25)26-12-19-28-29-23(34-4)30(18)19/h5-11,13H,12H2,1-4H3,(H,27,31)(H,32,33)