tert-butyl (2S)-2-[(1S)-4-methoxy-4-oxidanylidene-1-[oxidanyl-(phenylmethyl)amino]but-2-ynyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(1S)-4-methoxy-4-oxidanylidene-1-[oxidanyl-(phenylmethyl)amino]but-2-ynyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1S)-1-[benzyl(hydroxy)amino]-4-methoxy-4-oxo-but-2-ynyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1S)-1-[hydroxy-(phenylmethyl)amino]-4-methoxy-4-oxobut-2-ynyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1S)-1-[benzyl(hydroxy)amino]-4-methoxy-4-oxobut-2-ynyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1S)-1-[benzyl(hydroxy)amino]-4-keto-4-methoxy-but-2-ynyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(25)22-14-8-11-17(22)18(12-13-19(24)27-4)23(26)15-16-9-6-5-7-10-16/h5-7,9-10,17-18,26H,8,11,14-15H2,1-4H3/t17-,18-/m0/s1