tert-butyl (2S,4R)-4-(3-azanylpropylamino)-2-[(3-azanylpropylamino)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-4-(3-azanylpropylamino)-2-[(3-azanylpropylamino)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-4-(3-aminopropylamino)-2-[(3-aminopropylamino)methyl]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-(3-aminopropylamino)-2-[(3-aminopropylamino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-4-(3-aminopropylamino)-2-[(3-aminopropylamino)methyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-(3-aminopropylamino)-2-[(3-aminopropylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H35N5O2 MolecularWeight: 329.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CNCCCN)NCCCN

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CNCCCN)NCCCN

InChI

InChI=1S/C16H35N5O2/c1-16(2,3)23-15(22)21-12-13(20-9-5-7-18)10-14(21)11-19-8-4-6-17/h13-14,19-20H,4-12,17-18H2,1-3H3/t13-,14+/m1/s1