(3S,6S,9S,12S,15R)-3-(cyclohexylmethyl)-1-methyl-6,12-bis(2-methylpropyl)-9-(phenylmethyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

Systemtic Name: (3S,6S,9S,12S,15R)-3-(cyclohexylmethyl)-1-methyl-6,12-bis(2-methylpropyl)-9-(phenylmethyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Openeye Name: (3S,6S,9S,12S,15R)-9-benzyl-3-(cyclohexylmethyl)-6,12-diisobutyl-15-isopropyl-1-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone CAS Name: (3S,6S,9S,12S,15R)-3-(cyclohexylmethyl)-1-methyl-6,12-bis(2-methylpropyl)-9-(phenylmethyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone IUPAC Name: (3S,6S,9S,12S,15R)-9-benzyl-3-(cyclohexylmethyl)-1-methyl-6,12-bis(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Traditional Name: (3S,6S,9S,12S,15R)-9-benzyl-3-(cyclohexylmethyl)-6,12-diisobutyl-15-isopropyl-1-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Formula: C36H57N5O5 MolecularWeight: 639.86828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(C)C)C(C)C)C)CC3CCCCC3

Isomeric SMILES

CC(C)C[C@H]1C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C(C)C)C)CC3CCCCC3

InChI

InChI=1S/C36H57N5O5/c1-22(2)18-27-33(43)40-30(21-26-16-12-9-13-17-26)36(46)41(7)31(24(5)6)35(45)39-28(19-23(3)4)32(42)38-29(34(44)37-27)20-25-14-10-8-11-15-25/h8,10-11,14-15,22-24,26-31H,9,12-13,16-21H2,1-7H3,(H,37,44)(H,38,42)(H,39,45)(H,40,43)/t27-,28-,29-,30-,31+/m0/s1