(7S,10R,13R)-13-[(3-tert-butyl-4-oxidanyl-phenyl)methyl]-10-propan-2-yl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione

Systemtic Name: (7S,10R,13R)-13-[(3-tert-butyl-4-oxidanyl-phenyl)methyl]-10-propan-2-yl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione Openeye Name: (7S,10R,13R)-13-[(3-tert-butyl-4-hydroxy-phenyl)methyl]-10-isopropyl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione CAS Name: (7S,10R,13R)-13-[(3-tert-butyl-4-hydroxyphenyl)methyl]-10-propan-2-yl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione IUPAC Name: (7S,10R,13R)-13-[(3-tert-butyl-4-hydroxyphenyl)methyl]-10-propan-2-yl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione Traditional Name: (7S,10R,13R)-13-(3-tert-butyl-4-hydroxy-benzyl)-10-isopropyl-7-propyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione Formula: C34H50N4O5 MolecularWeight: 594.7846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)NCCCC2=CC=CC=C2OCCNC(C(=O)NC(C(=O)N1)C(C)C)CC3=CC(=C(C=C3)O)C(C)(C)C

Isomeric SMILES

CCC[C@H]1C(=O)NCCCC2=CC=CC=C2OCCN[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)CC3=CC(=C(C=C3)O)C(C)(C)C

InChI

InChI=1S/C34H50N4O5/c1-7-11-26-31(40)36-17-10-13-24-12-8-9-14-29(24)43-19-18-35-27(32(41)38-30(22(2)3)33(42)37-26)21-23-15-16-28(39)25(20-23)34(4,5)6/h8-9,12,14-16,20,22,26-27,30,35,39H,7,10-11,13,17-19,21H2,1-6H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27+,30+/m0/s1