tert-butyl (2S)-2-carbamimidoylpyrrolidine-1-carboxylate; ethanoic acid

Systemtic Name: tert-butyl (2S)-2-carbamimidoylpyrrolidine-1-carboxylate; ethanoic acid Openeye Name: acetic acid; tert-butyl (2S)-2-carbamimidoylpyrrolidine-1-carboxylate CAS Name: acetic acid; (2S)-2-carbamimidoyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl (2S)-2-carbamimidoylpyrrolidine-1-carboxylate Traditional Name: acetic acid; (2S)-2-amidinopyrrolidine-1-carboxylic acid tert-butyl ester Formula: C12H23N3O4 MolecularWeight: 273.32872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)OC(=O)N1CCCC1C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C10H19N3O2.C2H4O2/c1-10(2,3)15-9(14)13-6-4-5-7(13)8(11)12;1-2(3)4/h7H,4-6H2,1-3H3,(H3,11,12);1H3,(H,3,4)/t7-;/m0./s1