3-(1-methylindol-6-yl)-3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]propanoic acid

Systemtic Name: 3-(1-methylindol-6-yl)-3-[2-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]hexanoylamino]propanoic acid Openeye Name: 3-[2-(3-benzyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]-3-(1-methylindol-6-yl)propanoic acid CAS Name: 3-(1-methyl-6-indolyl)-3-[[2-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-[2-(3-benzyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]-3-(1-methylindol-6-yl)propanoic acid Traditional Name: 3-[2-(3-benzyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]-3-(1-methylindol-6-yl)propionic acid Formula: C31H35N3O4 MolecularWeight: 513.6273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC2=C(C=C1)C=CN2C)N3C=C(C=C(C3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC2=C(C=C1)C=CN2C)N3C=C(C=C(C3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C31H35N3O4/c1-4-5-11-27(34-20-21(2)16-25(31(34)38)17-22-9-7-6-8-10-22)30(37)32-26(19-29(35)36)24-13-12-23-14-15-33(3)28(23)18-24/h6-10,12-16,18,20,26-27H,4-5,11,17,19H2,1-3H3,(H,32,37)(H,35,36)