(3S,6S,9S,12R,15S,18S,21S,24S,27S)-24-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-4,10,16,22-tetramethyl-18,21-bis(2-methylpropyl)-15-(2-oxidanylpropan-2-yl)-3,6-bis(phenylmethyl)-9-propan-2-yl-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone

Systemtic Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-24-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-4,10,16,22-tetramethyl-18,21-bis(2-methylpropyl)-15-(2-oxidanylpropan-2-yl)-3,6-bis(phenylmethyl)-9-propan-2-yl-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone Openeye Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-15-(1-hydroxy-1-methyl-ethyl)-18,21-diisobutyl-9-isopropyl-4,10,16,22-tetramethyl-24-[(1R)-1-methylpropyl]-12-[(1S)-1-methylpropyl]-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-24-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,21-bis(2-methylpropyl)-3,6-bis(phenylmethyl)-9-propan-2-yl-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-24-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,21-bis(2-methylpropyl)-9-propan-2-yl-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone Traditional Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-15-(1-hydroxy-1-methyl-ethyl)-18,21-diisobutyl-9-isopropyl-4,10,16,22-tetramethyl-24-[(1R)-1-methylpropyl]-12-[(1S)-1-methylpropyl]-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone Formula: C61H94N8O11 MolecularWeight: 1115.44606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)(C)O)C)CC(C)C)CC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C61H94N8O11/c1-17-39(9)48-58(76)65(13)46(33-37(5)6)53(71)62-43(32-36(3)4)56(74)68(16)51(61(11,12)79)60(78)80-50(40(10)18-2)59(77)67(15)49(38(7)8)54(72)63-44(34-41-26-21-19-22-27-41)55(73)66(14)47(35-42-28-23-20-24-29-42)57(75)69-31-25-30-45(69)52(70)64-48/h19-24,26-29,36-40,43-51,79H,17-18,25,30-35H2,1-16H3,(H,62,71)(H,63,72)(H,64,70)/t39-,40+,43+,44+,45+,46+,47+,48+,49+,50-,51-/m1/s1