(2E,7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione

Systemtic Name: (2E,7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione Openeye Name: (2E,7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione CAS Name: (2E,7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione IUPAC Name: (2E,7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione Traditional Name: (2E,7R,10S,13S)-7-(4-chlorobenzyl)-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione Formula: C33H43ClN4O5 MolecularWeight: 611.17132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC(C(=O)NCC=CC2=CC=CC=C2OCCNC(C(=O)N1C)C3CCCCC3)CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC([C@H]1C(=O)N[C@@H](C(=O)NC/C=C/C2=CC=CC=C2OCCN[C@H](C(=O)N1C)C3CCCCC3)CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C33H43ClN4O5/c1-22(39)30-32(41)37-27(21-23-14-16-26(34)17-15-23)31(40)36-18-8-12-24-9-6-7-13-28(24)43-20-19-35-29(33(42)38(30)2)25-10-4-3-5-11-25/h6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41)/b12-8+/t22?,27-,29+,30+/m1/s1