4-(4-methylpentanoylamino)-3-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 4-(4-methylpentanoylamino)-3-oxidanyl-azepane-1-carboxylic acid Openeye Name: 3-hydroxy-4-(4-methylpentanoylamino)azepane-1-carboxylic acid CAS Name: 3-hydroxy-4-[(4-methyl-1-oxopentyl)amino]-1-azepanecarboxylic acid IUPAC Name: 3-hydroxy-4-(4-methylpentanoylamino)azepane-1-carboxylic acid Traditional Name: 3-hydroxy-4-(4-methylpentanoylamino)azepane-1-carboxylic acid Formula: C13H24N2O4 MolecularWeight: 272.34066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1CCCN(CC1O)C(=O)O

Isomeric SMILES

CC(C)CCC(=O)NC1CCCN(CC1O)C(=O)O

InChI

InChI=1S/C13H24N2O4/c1-9(2)5-6-12(17)14-10-4-3-7-15(13(18)19)8-11(10)16/h9-11,16H,3-8H2,1-2H3,(H,14,17)(H,18,19)