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

Systemtic Name: (7R,10S,13S)-13-butan-2-yl-7-[(4-fluorophenyl)methyl]-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione Openeye Name: (7R,10S,13S)-7-[(4-fluorophenyl)methyl]-10-(1-hydroxyethyl)-11-methyl-13-sec-butyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione CAS Name: (7R,10S,13S)-13-butan-2-yl-7-[(4-fluorophenyl)methyl]-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione IUPAC Name: (7R,10S,13S)-13-butan-2-yl-7-[(4-fluorophenyl)methyl]-10-(1-hydroxyethyl)-11-methyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione Traditional Name: (7R,10S,13S)-7-(4-fluorobenzyl)-10-(1-hydroxyethyl)-11-methyl-13-sec-butyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-6,9,12-trione Formula: C31H43FN4O5 MolecularWeight: 570.695323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=C(C=C3)F)C(C)O)C

Isomeric SMILES

CCC(C)[C@H]1C(=O)N([C@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2OCCN1)CC3=CC=C(C=C3)F)C(C)O)C

InChI

InChI=1S/C31H43FN4O5/c1-5-20(2)27-31(40)36(4)28(21(3)37)30(39)35-25(19-22-12-14-24(32)15-13-22)29(38)34-16-8-10-23-9-6-7-11-26(23)41-18-17-33-27/h6-7,9,11-15,20-21,25,27-28,33,37H,5,8,10,16-19H2,1-4H3,(H,34,38)(H,35,39)/t20?,21?,25-,27+,28+/m1/s1