(2S)-N1-methyl-N2-[(2S)-3-phenyl-2-(4-phenylbutylamino)propyl]pentane-1,2-diamine

Systemtic Name: (2S)-N1-methyl-N2-[(2S)-3-phenyl-2-(4-phenylbutylamino)propyl]pentane-1,2-diamine Openeye Name: (2S)-N1-methyl-N2-[(2S)-3-phenyl-2-(4-phenylbutylamino)propyl]pentane-1,2-diamine CAS Name: (2S)-N1-methyl-N2-[(2S)-3-phenyl-2-(4-phenylbutylamino)propyl]pentane-1,2-diamine IUPAC Name: (2S)-1-N-methyl-2-N-[(2S)-3-phenyl-2-(4-phenylbutylamino)propyl]pentane-1,2-diamine Traditional Name: [(1S)-1-benzyl-2-[[(1S)-1-(methylaminomethyl)butyl]amino]ethyl]-(4-phenylbutyl)amine Formula: C25H39N3 MolecularWeight: 381.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC)NCC(CC1=CC=CC=C1)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](CNC)NC[C@H](CC1=CC=CC=C1)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C25H39N3/c1-3-12-24(20-26-2)28-21-25(19-23-16-8-5-9-17-23)27-18-11-10-15-22-13-6-4-7-14-22/h4-9,13-14,16-17,24-28H,3,10-12,15,18-21H2,1-2H3/t24-,25-/m0/s1