2-acetamido-3-[4-(2-azanyl-4-methyl-pentanoyl)cyclohexa-1,3-dien-5-yn-1-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[4-(2-azanyl-4-methyl-pentanoyl)cyclohexa-1,3-dien-5-yn-1-yl]propanoic acid Openeye Name: 2-acetamido-3-[4-(2-amino-4-methyl-pentanoyl)cyclohexa-1,3-dien-5-yn-1-yl]propanoic acid CAS Name: 2-acetamido-3-[4-(2-amino-4-methyl-1-oxopentyl)-1-cyclohexa-1,3-dien-5-ynyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-(2-amino-4-methylpentanoyl)cyclohexa-1,3-dien-5-yn-1-yl]propanoic acid Traditional Name: 2-acetamido-3-[4-(2-amino-4-methyl-pentanoyl)cyclohexa-1,3-dien-5-yn-1-yl]propionic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=CC=C(C#C1)CC(C(=O)O)NC(=O)C)N

Isomeric SMILES

CC(C)CC(C(=O)C1=CC=C(C#C1)CC(C(=O)O)NC(=O)C)N

InChI

InChI=1S/C17H22N2O4/c1-10(2)8-14(18)16(21)13-6-4-12(5-7-13)9-15(17(22)23)19-11(3)20/h4,6,10,14-15H,8-9,18H2,1-3H3,(H,19,20)(H,22,23)