tert-butyl (2S)-2-[[bis[7-methyl-4-(3-methylbutyl)octyl]amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[bis[7-methyl-4-(3-methylbutyl)octyl]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[bis(4-isopentyl-7-methyl-octyl)amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[bis[7-methyl-4-(3-methylbutyl)octyl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[bis[7-methyl-4-(3-methylbutyl)octyl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[bis(4-isoamyl-7-methyl-octyl)amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C38H76N2O2 MolecularWeight: 593.02224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCCN(CCCC(CCC(C)C)CCC(C)C)CC1CCCN1C(=O)OC(C)(C)C)CCC(C)C

Isomeric SMILES

CC(C)CCC(CCCN(CCCC(CCC(C)C)CCC(C)C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)CCC(C)C

InChI

InChI=1S/C38H76N2O2/c1-30(2)18-22-34(23-19-31(3)4)15-12-26-39(27-13-16-35(24-20-32(5)6)25-21-33(7)8)29-36-17-14-28-40(36)37(41)42-38(9,10)11/h30-36H,12-29H2,1-11H3/t36-/m0/s1