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

Systemtic Name: (3S,6S,9S,12S)-1-methyl-6,9-bis(2-methylpropyl)-3-(phenylmethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Openeye Name: (3S,6S,9S,12S)-3-benzyl-6,9-diisobutyl-12-isopropyl-1-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone CAS Name: (3S,6S,9S,12S)-1-methyl-6,9-bis(2-methylpropyl)-3-(phenylmethyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone IUPAC Name: (3S,6S,9S,12S)-3-benzyl-1-methyl-6,9-bis(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Traditional Name: (3S,6S,9S,12S)-3-benzyl-6,9-diisobutyl-12-isopropyl-1-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Formula: C29H45N5O5 MolecularWeight: 543.6981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N5O5/c1-17(2)13-21-27(37)32-23(15-20-11-9-8-10-12-20)29(39)34(7)16-24(35)33-25(19(5)6)28(38)31-22(14-18(3)4)26(36)30-21/h8-12,17-19,21-23,25H,13-16H2,1-7H3,(H,30,36)(H,31,38)(H,32,37)(H,33,35)/t21-,22-,23-,25-/m0/s1