2-[[3-[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[3-(1,3-benzodioxol-5-ylmethyl)-4-imidazolyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-[(3-piperonylimidazol-4-yl)methyl]ethyl]amino]-4-methyl-valeric acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CN=CN1CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CN=CN1CC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C20H25N3O6/c1-12(2)5-15(19(24)25)22-16(20(26)27)7-14-8-21-10-23(14)9-13-3-4-17-18(6-13)29-11-28-17/h3-4,6,8,10,12,15-16,22H,5,7,9,11H2,1-2H3,(H,24,25)(H,26,27)