2-[[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[[[2-(2-benzofuranylmethylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[[[2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[[[2-(benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]methyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3=NC=C(C(=O)N3)C(=O)O)NCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3=NC=C(C(=O)N3)C(=O)O)NCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N5O5/c1-27(11-17-12-28-21-8-4-3-7-19(17)21,31-13-18-10-16-6-2-5-9-22(16)37-18)26(36)30-15-23-29-14-20(25(34)35)24(33)32-23/h2-10,12,14,28,31H,11,13,15H2,1H3,(H,30,36)(H,34,35)(H,29,32,33)