(2S,4R)-4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-benzamido-1-[2-(tert-butoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-benzamido-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-benzamido-1-[2-(tert-butoxycarbonylamino)acetyl]proline Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)N1CC(CC1C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O6/c1-19(2,3)28-18(27)20-10-15(23)22-11-13(9-14(22)17(25)26)21-16(24)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,20,27)(H,21,24)(H,25,26)/t13-,14+/m1/s1