tert-butyl 5-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]pentanoate

Systemtic Name: tert-butyl 5-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]pentanoate Openeye Name: tert-butyl 5-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]pentanoate CAS Name: 5-[[2-[(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]pentanoate Traditional Name: 5-[[2-[(2S,5R)-2-cyano-5-ethynyl-pyrrolidino]-2-keto-ethyl]amino]valeric acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCNCC(=O)N1C(CCC1C#N)C#C

Isomeric SMILES

CC(C)(C)OC(=O)CCCCNCC(=O)N1[C@H](CC[C@H]1C#N)C#C

InChI

InChI=1S/C18H27N3O3/c1-5-14-9-10-15(12-19)21(14)16(22)13-20-11-7-6-8-17(23)24-18(2,3)4/h1,14-15,20H,6-11,13H2,2-4H3/t14-,15-/m0/s1