2-[[3-azanyl-2,4-bis(oxidanyl)phenyl]-butanoyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-azanyl-2,4-bis(oxidanyl)phenyl]-butanoyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-(3-amino-N-butanoyl-2,4-dihydroxy-anilino)-4-methyl-pentanoic acid CAS Name: 2-[3-amino-2,4-dihydroxy-N-(1-oxobutyl)anilino]-4-methylpentanoic acid IUPAC Name: 2-(3-amino-N-butanoyl-2,4-dihydroxyanilino)-4-methylpentanoic acid Traditional Name: 2-(3-amino-N-butyryl-2,4-dihydroxy-anilino)-4-methyl-valeric acid Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=C(C(=C(C=C1)O)N)O)C(CC(C)C)C(=O)O

Isomeric SMILES

CCCC(=O)N(C1=C(C(=C(C=C1)O)N)O)C(CC(C)C)C(=O)O

InChI

InChI=1S/C16H24N2O5/c1-4-5-13(20)18(11(16(22)23)8-9(2)3)10-6-7-12(19)14(17)15(10)21/h6-7,9,11,19,21H,4-5,8,17H2,1-3H3,(H,22,23)