(3R,6S,9R,12S,15S)-9-methyl-3-oxidanyl-12-(phenylmethyl)-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

Systemtic Name: (3R,6S,9R,12S,15S)-9-methyl-3-oxidanyl-12-(phenylmethyl)-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Openeye Name: (3R,6S,9R,12S,15S)-12-benzyl-3-hydroxy-6-isopropyl-9-methyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone CAS Name: (3R,6S,9R,12S,15S)-3-hydroxy-9-methyl-12-(phenylmethyl)-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone IUPAC Name: (3R,6S,9R,12S,15S)-12-benzyl-3-hydroxy-9-methyl-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Traditional Name: (3R,6S,9R,12S,15S)-12-benzyl-3-hydroxy-6-isopropyl-9-methyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Formula: C24H33N5O6 MolecularWeight: 487.54872

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CC=CC=C3)O)C(C)C

Isomeric SMILES

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C24H33N5O6/c1-13(2)18-22(33)28-23(34)24(35)29-11-7-10-17(29)21(32)26-16(12-15-8-5-4-6-9-15)20(31)25-14(3)19(30)27-18/h4-6,8-9,13-14,16-18,23,34H,7,10-12H2,1-3H3,(H,25,31)(H,26,32)(H,27,30)(H,28,33)/t14-,16+,17+,18+,23-/m1/s1