tert-butyl (2S)-2-[[(1R)-1-isocyanato-2-phenyl-ethyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(1R)-1-isocyanato-2-phenyl-ethyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1R)-1-isocyanato-2-phenyl-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(1R)-1-isocyanato-2-phenylethyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R)-1-isocyanato-2-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1R)-1-isocyanato-2-phenyl-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)N=C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)N=C=O

InChI

InChI=1S/C19H25N3O4/c1-19(2,3)26-18(25)22-11-7-10-15(22)17(24)21-16(20-13-23)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,21,24)/t15-,16-/m0/s1