methyl (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]propanoyl]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]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]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]amino]-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]amino]-1-cyclohexylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]amino]-1-cyclohexyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C31H39ClN4O4 MolecularWeight: 567.11876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](CN1C2CCCCC2)NC(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)[C@H]4CC5=CC=CC=C5CN4

InChI

InChI=1S/C31H39ClN4O4/c1-40-31(39)28-17-24(19-36(28)25-9-3-2-4-10-25)34-30(38)27(15-20-11-13-23(32)14-12-20)35-29(37)26-16-21-7-5-6-8-22(21)18-33-26/h5-8,11-14,24-28,33H,2-4,9-10,15-19H2,1H3,(H,34,38)(H,35,37)/t24-,26+,27+,28-/m0/s1