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

Systemtic Name: 2-[[3-[5-(1,3-benzodioxol-5-yl)furan-2-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[5-(1,3-benzodioxol-5-yl)-2-furyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[5-(1,3-benzodioxol-5-yl)-2-furanyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[5-(1,3-benzodioxol-5-yl)furan-2-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[[5-(1,3-benzodioxol-5-yl)-2-furyl]methyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=C(O1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=C(O1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C20H23NO7/c1-11(2)7-14(19(22)23)21-15(20(24)25)9-13-4-6-16(28-13)12-3-5-17-18(8-12)27-10-26-17/h3-6,8,11,14-15,21H,7,9-10H2,1-2H3,(H,22,23)(H,24,25)