2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanoic acid

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanoic acid Openeye Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]acetic acid Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O3/c1-15(2)21(30)27-16-5-6-19-17(13-16)18(14-26-19)20(22(31)32)28-9-4-10-29(12-11-28)23-24-7-3-8-25-23/h3,5-8,13-15,20,26H,4,9-12H2,1-2H3,(H,27,30)(H,31,32)