2,2-dimethylpropyl (2S)-1-[(2R)-2-azido-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 2,2-dimethylpropyl (2S)-1-[(2R)-2-azido-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: 2,2-dimethylpropyl (2S)-1-[(2R)-2-azido-3-phenylsulfanyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-azido-1-oxo-3-(phenylthio)propyl]-2-pyrrolidinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (2S)-1-[(2R)-2-azido-3-phenylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-azido-3-(phenylthio)propanoyl]pyrrolidine-2-carboxylic acid neopentyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1CCCN1C(=O)C(CSC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)COC(=O)[C@@H]1CCCN1C(=O)[C@H](CSC2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C19H26N4O3S/c1-19(2,3)13-26-18(25)16-10-7-11-23(16)17(24)15(21-22-20)12-27-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16-/m0/s1