methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]propanoyl]-methyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylate dihydrochloride

Systemtic Name: methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]propanoyl]-methyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylate dihydrochloride Openeye Name: methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-methyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylate dihydrochloride CAS Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-1-oxo-2-[[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]propyl]-methylamino]-1-cyclohexyl-2-pyrrolidinecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-methylamino]-1-cyclohexylpyrrolidine-2-carboxylate dihydrochloride Traditional Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-methyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylic acid methyl ester dihydrochloride Formula: C32H43Cl3N4O4 MolecularWeight: 654.06722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC(N(C1)C2CCCCC2)C(=O)OC)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4.Cl.Cl

Isomeric SMILES

CN([C@H]1C[C@H](N(C1)C2CCCCC2)C(=O)OC)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H]4CC5=CC=CC=C5CN4.Cl.Cl

InChI

InChI=1S/C32H41ClN4O4.2ClH/c1-36(26-18-29(32(40)41-2)37(20-26)25-10-4-3-5-11-25)31(39)28(16-21-12-14-24(33)15-13-21)35-30(38)27-17-22-8-6-7-9-23(22)19-34-27;;/h6-9,12-15,25-29,34H,3-5,10-11,16-20H2,1-2H3,(H,35,38);2*1H/t26-,27+,28+,29-;;/m0../s1