3-methyl-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 2-[[1-[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]piperidine-4-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[[1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]butanoic acid Traditional Name: 2-[[1-[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]isonipecotoyl]amino]-3-methyl-butyric acid Formula: C21H37N3O6S MolecularWeight: 459.59998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H37N3O6S/c1-13(2)16(19(27)28)23-17(25)14-7-10-24(11-8-14)18(26)15(9-12-31-6)22-20(29)30-21(3,4)5/h13-16H,7-12H2,1-6H3,(H,22,29)(H,23,25)(H,27,28)