5-methyl-3-[[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(2-methylpropanoylamino)hexanoic acid

Systemtic Name: 5-methyl-3-[[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(2-methylpropanoylamino)hexanoic acid Openeye Name: 3-[[3-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-5-methyl-2-(2-methylpropanoylamino)hexanoic acid CAS Name: 5-methyl-3-[[4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-2-[(2-methyl-1-oxopropyl)amino]hexanoic acid IUPAC Name: 5-methyl-3-[[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(2-methylpropanoylamino)hexanoic acid Traditional Name: 3-[[3-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(isobutyrylamino)-5-methyl-hexanoic acid Formula: C22H41N3O6 MolecularWeight: 443.57744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N3O6/c1-12(2)10-16(18(20(28)29)25-19(27)14(5)6)23-17(26)11-15(13(3)4)24-21(30)31-22(7,8)9/h12-16,18H,10-11H2,1-9H3,(H,23,26)(H,24,30)(H,25,27)(H,28,29)