tert-butyl (2S)-1-[(2R)-3-methyl-2-[(3-methylaziridin-2-yl)carbonylamino]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2R)-3-methyl-2-[(3-methylaziridin-2-yl)carbonylamino]butanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2R)-3-methyl-2-[(3-methylaziridine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-3-methyl-2-[[(3-methyl-2-aziridinyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2R)-3-methyl-2-[(3-methylaziridine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-3-methyl-2-[(3-methylethylenimine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C18H31N3O4 MolecularWeight: 353.45644

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC1C(N1)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C

InChI

InChI=1S/C18H31N3O4/c1-10(2)13(20-15(22)14-11(3)19-14)16(23)21-9-7-8-12(21)17(24)25-18(4,5)6/h10-14,19H,7-9H2,1-6H3,(H,20,22)/t11?,12-,13+,14?/m0/s1