(3R,6S,9R,12S,15S)-3-chloranyl-9-methyl-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)-3-chloranyl-9-methyl-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-chloro-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-chloro-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-chloro-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-chloro-6-isopropyl-9-methyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Formula: C24H32ClN5O5 MolecularWeight: 505.99438

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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)Cl)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)Cl)C(C)C

InChI

InChI=1S/C24H32ClN5O5/c1-13(2)18-23(34)29-19(25)24(35)30-11-7-10-17(30)22(33)27-16(12-15-8-5-4-6-9-15)21(32)26-14(3)20(31)28-18/h4-6,8-9,13-14,16-19H,7,10-12H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)(H,29,34)/t14-,16+,17+,18+,19+/m1/s1