(2E,7R,10S,13S)-13-butan-2-yl-10-(hydroxymethyl)-11-methyl-7-(1-phenylethyl)-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)-13-butan-2-yl-10-(hydroxymethyl)-11-methyl-7-(1-phenylethyl)-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)-10-(hydroxymethyl)-11-methyl-7-(1-phenylethyl)-13-sec-butyl-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)-13-butan-2-yl-10-(hydroxymethyl)-11-methyl-7-(1-phenylethyl)-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)-13-butan-2-yl-10-(hydroxymethyl)-11-methyl-7-(1-phenylethyl)-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)-11-methyl-10-methylol-7-(1-phenylethyl)-13-sec-butyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),2,18,20-tetraene-6,9,12-trione Formula: C31H42N4O5 MolecularWeight: 550.68898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)NCC=CC2=CC=CC=C2OCCN1)C(C)C3=CC=CC=C3)CO)C

Isomeric SMILES

CCC(C)[C@H]1C(=O)N([C@H](C(=O)N[C@@H](C(=O)NC/C=C/C2=CC=CC=C2OCCN1)C(C)C3=CC=CC=C3)CO)C

InChI

InChI=1S/C31H42N4O5/c1-5-21(2)27-31(39)35(4)25(20-36)29(37)34-28(22(3)23-12-7-6-8-13-23)30(38)33-17-11-15-24-14-9-10-16-26(24)40-19-18-32-27/h6-16,21-22,25,27-28,32,36H,5,17-20H2,1-4H3,(H,33,38)(H,34,37)/b15-11+/t21?,22?,25-,27-,28+/m0/s1