[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phenylmethoxycarbonyloxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrol-2-yl]carbonylamino]ethyl] (phenylmethyl) carbonate

Systemtic Name: [(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phenylmethoxycarbonyloxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrol-2-yl]carbonylamino]ethyl] (phenylmethyl) carbonate Openeye Name: benzyl [(2R)-2-[[4-[5-[[(1S)-2-benzyloxycarbonyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] carbonate CAS Name: carbonic acid [(2S)-2-(3-chlorophenyl)-2-[[[4-[5-methyl-2-[[(2R)-1-phenylmethoxycarbonyloxybutan-2-yl]amino]-4-pyrimidinyl]-1H-pyrrol-2-yl]-oxomethyl]amino]ethyl] (phenylmethyl) ester IUPAC Name: benzyl [(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phenylmethoxycarbonyloxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] carbonate Traditional Name: carbonic acid benzyl [(2R)-2-[[4-[5-[[(1S)-2-carbobenzoxyoxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] ester Formula: C38H38ClN5O7 MolecularWeight: 712.19062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)OCC1=CC=CC=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)NC(COC(=O)OCC4=CC=CC=C4)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC[C@H](COC(=O)OCC1=CC=CC=C1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)N[C@H](COC(=O)OCC4=CC=CC=C4)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C38H38ClN5O7/c1-3-31(23-50-37(46)48-21-26-11-6-4-7-12-26)42-36-41-19-25(2)34(44-36)29-18-32(40-20-29)35(45)43-33(28-15-10-16-30(39)17-28)24-51-38(47)49-22-27-13-8-5-9-14-27/h4-20,31,33,40H,3,21-24H2,1-2H3,(H,43,45)(H,41,42,44)/t31-,33-/m1/s1