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

Systemtic Name: methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]propanoyl]-ethyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-ethyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-1-oxo-2-[[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]propyl]-ethylamino]-1-cyclohexyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-ethylamino]-1-cyclohexylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-ethyl-amino]-1-cyclohexyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C33H43ClN4O4 MolecularWeight: 595.17192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN([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

InChI

InChI=1S/C33H43ClN4O4/c1-3-37(27-19-30(33(41)42-2)38(21-27)26-11-5-4-6-12-26)32(40)29(17-22-13-15-25(34)16-14-22)36-31(39)28-18-23-9-7-8-10-24(23)20-35-28/h7-10,13-16,26-30,35H,3-6,11-12,17-21H2,1-2H3,(H,36,39)/t27-,28+,29+,30-/m0/s1