(2S,5S,8S,11S,14S,15R,17S)-5,8,14-trimethyl-2-(2-methylpropyl)-17-phenyl-11-(phenylmethyl)-1,4,7,10,13-pentazabicyclo[13.1.1]heptadecane-3,6,9,12,16-pentone

Systemtic Name: (2S,5S,8S,11S,14S,15R,17S)-5,8,14-trimethyl-2-(2-methylpropyl)-17-phenyl-11-(phenylmethyl)-1,4,7,10,13-pentazabicyclo[13.1.1]heptadecane-3,6,9,12,16-pentone Openeye Name: (2S,5S,8S,11S,14S,15R,17S)-11-benzyl-2-isobutyl-5,8,14-trimethyl-17-phenyl-1,4,7,10,13-pentazabicyclo[13.1.1]heptadecane-3,6,9,12,16-pentone CAS Name: (2S,5S,8S,11S,14S,15R,17S)-5,8,14-trimethyl-2-(2-methylpropyl)-17-phenyl-11-(phenylmethyl)-1,4,7,10,13-pentazabicyclo[13.1.1]heptadecane-3,6,9,12,16-pentone IUPAC Name: (2S,5S,8S,11S,14S,15R,17S)-11-benzyl-5,8,14-trimethyl-2-(2-methylpropyl)-17-phenyl-1,4,7,10,13-pentazabicyclo[13.1.1]heptadecane-3,6,9,12,16-pentone Traditional Name: (2S,5S,8S,11S,14S,15R,17S)-11-benzyl-2-isobutyl-5,8,14-trimethyl-17-phenyl-1,4,7,10,13-pentazabicyclo[13.1.1]heptadecane-3,6,9,12,16-pentone Formula: C32H41N5O5 MolecularWeight: 575.69844

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(N(C2=O)C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)C)C)CC(C)C)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1[C@@H]2[C@H](N(C2=O)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)C)C)CC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C32H41N5O5/c1-18(2)16-25-31(41)35-20(4)28(38)34-21(5)29(39)36-24(17-22-12-8-6-9-13-22)30(40)33-19(3)26-27(37(25)32(26)42)23-14-10-7-11-15-23/h6-15,18-21,24-27H,16-17H2,1-5H3,(H,33,40)(H,34,38)(H,35,41)(H,36,39)/t19-,20-,21-,24-,25-,26+,27+/m0/s1