4-[[2-(2,2-dimethylpropanoylamino)-4-methyl-pentanoyl]amino]-3-oxidanylidene-azepane-1-carboxylic acid

Systemtic Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-methyl-pentanoyl]amino]-3-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-methyl-pentanoyl]amino]-3-oxo-azepane-1-carboxylic acid CAS Name: 4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-3-oxo-1-azepanecarboxylic acid IUPAC Name: 4-[[2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]-3-oxoazepane-1-carboxylic acid Traditional Name: 3-keto-4-[[4-methyl-2-(pivaloylamino)pentanoyl]amino]azepane-1-carboxylic acid Formula: C18H31N3O5 MolecularWeight: 369.45584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)O)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)O)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H31N3O5/c1-11(2)9-13(20-16(24)18(3,4)5)15(23)19-12-7-6-8-21(17(25)26)10-14(12)22/h11-13H,6-10H2,1-5H3,(H,19,23)(H,20,24)(H,25,26)