2-methyl-5-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-oxidanylidene-azepane-1-carboxylic acid

Systemtic Name: 2-methyl-5-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 5-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxo-azepane-1-carboxylic acid CAS Name: 2-methyl-5-[[4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-6-oxo-1-azepanecarboxylic acid IUPAC Name: 2-methyl-5-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-6-oxoazepane-1-carboxylic acid Traditional Name: 5-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-6-keto-2-methyl-azepane-1-carboxylic acid Formula: C19H33N3O6 MolecularWeight: 399.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1C(=O)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CCC(C(=O)CN1C(=O)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H33N3O6/c1-11(2)9-14(21-17(25)28-19(4,5)6)16(24)20-13-8-7-12(3)22(18(26)27)10-15(13)23/h11-14H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,26,27)