(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid Openeye Name: (2S)-3-(1-benzyloxycarbonyl-4-piperidyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-phenylmethoxycarbonyl-4-piperidinyl)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylpiperidin-4-yl)propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-carbobenzoxy-4-piperidyl)propionic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O6/c1-21(2,3)29-19(26)22-17(18(24)25)13-15-9-11-23(12-10-15)20(27)28-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,22,26)(H,24,25)/t17-/m0/s1