(2S,4R)-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1-butanoyl-4-phenylmethoxy-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-1-butanoyl-4-phenylmethoxy-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-benzyloxy-1-butanoyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1-(1-oxobutyl)-4-phenylmethoxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1-butanoyl-4-phenylmethoxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-benzoxy-1-butyryl-pyrrolidine-2-carboxamide Formula: C26H45N5O3 MolecularWeight: 475.6672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC(CC1C(=O)NCCCNCCCCNCCCN)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)N1C[C@@H](C[C@H]1C(=O)NCCCNCCCCNCCCN)OCC2=CC=CC=C2

InChI

InChI=1S/C26H45N5O3/c1-2-10-25(32)31-20-23(34-21-22-11-4-3-5-12-22)19-24(31)26(33)30-18-9-17-29-15-7-6-14-28-16-8-13-27/h3-5,11-12,23-24,28-29H,2,6-10,13-21,27H2,1H3,(H,30,33)/t23-,24+/m1/s1