(10S,13S,16S,19S)-11,14,20-trimethyl-3-(2-methylpropyl)-16-(phenylmethyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Systemtic Name: (10S,13S,16S,19S)-11,14,20-trimethyl-3-(2-methylpropyl)-16-(phenylmethyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone Openeye Name: (10S,13S,16S,19S)-16-benzyl-3-isobutyl-10,13-diisopropyl-11,14,20-trimethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone CAS Name: (10S,13S,16S,19S)-11,14,20-trimethyl-3-(2-methylpropyl)-16-(phenylmethyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone IUPAC Name: (10S,13S,16S,19S)-16-benzyl-11,14,20-trimethyl-3-(2-methylpropyl)-10,13-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone Traditional Name: (10S,13S,16S,19S)-16-benzyl-3-isobutyl-10,13-diisopropyl-11,14,20-trimethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-triquinone Formula: C36H55N5O7 MolecularWeight: 669.8512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN2C1C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C2=O)CC(C)C)C(C)C)C)C(C)C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1CCN2[C@@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)OC(C2=O)CC(C)C)C(C)C)C)C(C)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C36H55N5O7/c1-21(2)19-27-35(46)41-18-16-24(7)31(41)33(44)38-26(20-25-13-11-10-12-14-25)34(45)40(9)30(23(5)6)36(47)39(8)29(22(3)4)32(43)37-17-15-28(42)48-27/h10-14,21-24,26-27,29-31H,15-20H2,1-9H3,(H,37,43)(H,38,44)/t24?,26-,27?,29-,30-,31-/m0/s1