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

Systemtic Name: 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[1-[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]isonipecotoyl]amino]propionic acid Formula: C19H33N3O6S MolecularWeight: 431.54682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3O6S/c1-12(17(25)26)20-15(23)13-6-9-22(10-7-13)16(24)14(8-11-29-5)21-18(27)28-19(2,3)4/h12-14H,6-11H2,1-5H3,(H,20,23)(H,21,27)(H,25,26)