(2S)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]-2-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]-2-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-2-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: (2S)-2-hydroxy-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-hydroxy-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]-2-hydroxy-proline Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)N1CCCC1(C(=O)O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)N1CCC[C@@]1(C(=O)O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O6/c1-18(2,3)27-17(25)20-14(13-8-5-4-6-9-13)12-15(22)21-11-7-10-19(21,26)16(23)24/h4-6,8-9,14,26H,7,10-12H2,1-3H3,(H,20,25)(H,23,24)/t14?,19-/m0/s1