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

Systemtic Name: (2S)-1-[(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-2-methyl-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R)-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-2-methyl-3-phenyl-propanoyl]proline Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

C[C@@](CC1=CC=CC=C1)(C(=O)N2CCC[C@H]2C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O5/c1-19(2,3)27-18(26)21-20(4,13-14-9-6-5-7-10-14)17(25)22-12-8-11-15(22)16(23)24/h5-7,9-10,15H,8,11-13H2,1-4H3,(H,21,26)(H,23,24)/t15-,20+/m0/s1