(7R,10S,13S)-13-butan-2-yl-10-(2-hydroxyethyl)-11-methyl-7-(phenylmethyl)-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-10-(2-hydroxyethyl)-11-methyl-7-(phenylmethyl)-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-benzyl-10-(2-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-10-(2-hydroxyethyl)-11-methyl-7-(phenylmethyl)-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)-7-benzyl-13-butan-2-yl-10-(2-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-benzyl-10-(2-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: C31H44N4O5 MolecularWeight: 552.70486

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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=CC=C3)CCO)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=CC=C3)CCO)C

InChI

InChI=1S/C31H44N4O5/c1-4-22(2)28-31(39)35(3)26(16-19-36)30(38)34-25(21-23-11-6-5-7-12-23)29(37)33-17-10-14-24-13-8-9-15-27(24)40-20-18-32-28/h5-9,11-13,15,22,25-26,28,32,36H,4,10,14,16-21H2,1-3H3,(H,33,37)(H,34,38)/t22?,25-,26+,28+/m1/s1