(2E,7R,10S,13S)-13-butan-2-yl-10-(1-hydroxyethyl)-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-(1-hydroxyethyl)-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-(1-hydroxyethyl)-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-(1-hydroxyethyl)-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-(1-hydroxyethyl)-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)-10-(1-hydroxyethyl)-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 Formula: C32H44N4O5 MolecularWeight: 564.71556

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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)C(C)O)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)C(C)O)C

InChI

InChI=1S/C32H44N4O5/c1-6-21(2)27-32(40)36(5)29(23(4)37)31(39)35-28(22(3)24-13-8-7-9-14-24)30(38)34-18-12-16-25-15-10-11-17-26(25)41-20-19-33-27/h7-17,21-23,27-29,33,37H,6,18-20H2,1-5H3,(H,34,38)(H,35,39)/b16-12+/t21?,22?,23?,27-,28+,29-/m0/s1