2-(butanoylamino)-5-methyl-2-[4-methylpentanoyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]hexanoic acid

Systemtic Name: 2-(butanoylamino)-5-methyl-2-[4-methylpentanoyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]hexanoic acid Openeye Name: 2-(butanoylamino)-2-[(tert-butoxycarbonylamino)-(4-methylpentanoyl)amino]-5-methyl-hexanoic acid CAS Name: 5-methyl-2-[(4-methyl-1-oxopentyl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-2-(1-oxobutylamino)hexanoic acid IUPAC Name: 2-(butanoylamino)-5-methyl-2-[4-methylpentanoyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]hexanoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)-(4-methylpentanoyl)amino]-2-butyramido-5-methyl-hexanoic acid Formula: C22H41N3O6 MolecularWeight: 443.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CCC(C)C)(C(=O)O)N(C(=O)CCC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)NC(CCC(C)C)(C(=O)O)N(C(=O)CCC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H41N3O6/c1-9-10-17(26)23-22(19(28)29,14-13-16(4)5)25(18(27)12-11-15(2)3)24-20(30)31-21(6,7)8/h15-16H,9-14H2,1-8H3,(H,23,26)(H,24,30)(H,28,29)