4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-phenylazanyl-pentanoic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-phenylazanyl-pentanoic acid Openeye Name: 2-anilino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pentanoic acid CAS Name: 2-anilino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pentanoic acid IUPAC Name: 2-anilino-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pentanoic acid Traditional Name: 2-anilino-4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)valeric acid Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O4/c1-4-11-26-19-17(20(28)27(12-5-2)22(26)31)24-18(25-19)14(3)13-16(21(29)30)23-15-9-7-6-8-10-15/h6-10,14,16,23H,4-5,11-13H2,1-3H3,(H,24,25)(H,29,30)