(2R)-3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]butanoic acid Openeye Name: (2R)-2-[(1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2R)-3-methyl-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanoic acid Traditional Name: (2R)-2-[(1-tert-butoxycarbonyl-4-phenyl-isonipecotoyl)amino]-3-methyl-butyric acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-15(2)17(18(25)26)23-19(27)22(16-9-7-6-8-10-16)11-13-24(14-12-22)20(28)29-21(3,4)5/h6-10,15,17H,11-14H2,1-5H3,(H,23,27)(H,25,26)/t17-/m1/s1