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

Systemtic Name: (3S,6S,9S,15S)-3,9-bis(phenylmethyl)-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Openeye Name: (3S,6S,9S,15S)-3,9-dibenzyl-6-isopropyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone CAS Name: (3S,6S,9S,15S)-3,9-bis(phenylmethyl)-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone IUPAC Name: (3S,6S,9S,15S)-3,9-dibenzyl-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Traditional Name: (3S,6S,9S,15S)-3,9-dibenzyl-6-isopropyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Formula: C30H37N5O5 MolecularWeight: 547.64528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H37N5O5/c1-19(2)26-29(39)33-23(17-21-12-7-4-8-13-21)30(40)35-15-9-14-24(35)28(38)31-18-25(36)32-22(27(37)34-26)16-20-10-5-3-6-11-20/h3-8,10-13,19,22-24,26H,9,14-18H2,1-2H3,(H,31,38)(H,32,36)(H,33,39)(H,34,37)/t22-,23-,24-,26-/m0/s1