(2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-N-methyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide trihydrochloride

Systemtic Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-N-methyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide trihydrochloride Openeye Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-1-isobutyl-N-methyl-pyrrolidine-2-carboxamide trihydrochloride CAS Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-1-oxo-2-[[(2R)-2-pyrrolidinyl]methylamino]propyl]-methylamino]-N-methyl-1-(2-methylpropyl)-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methylamino]-N-methyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide trihydrochloride Traditional Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-1-isobutyl-N-methyl-pyrrolidine-2-carboxamide trihydrochloride Formula: C25H43Cl4N5O2 MolecularWeight: 587.45322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CC1C(=O)NC)N(C)C(=O)C(CC2=CC=C(C=C2)Cl)NCC3CCCN3.Cl.Cl.Cl

Isomeric SMILES

CC(C)CN1C[C@H](C[C@H]1C(=O)NC)N(C)C(=O)[C@@H](CC2=CC=C(C=C2)Cl)NC[C@H]3CCCN3.Cl.Cl.Cl

InChI

InChI=1S/C25H40ClN5O2.3ClH/c1-17(2)15-31-16-21(13-23(31)24(32)27-3)30(4)25(33)22(29-14-20-6-5-11-28-20)12-18-7-9-19(26)10-8-18;;;/h7-10,17,20-23,28-29H,5-6,11-16H2,1-4H3,(H,27,32);3*1H/t20-,21+,22-,23+;;;/m1.../s1