(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carbonyl)amino]butanedioic acid CAS Name: (2S)-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-isonipecotoyl)amino]succinic acid Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C21H28N2O7/c1-20(2,3)30-19(29)23-11-9-21(10-12-23,14-7-5-4-6-8-14)18(28)22-15(17(26)27)13-16(24)25/h4-8,15H,9-13H2,1-3H3,(H,22,28)(H,24,25)(H,26,27)/t15-/m0/s1