(3S,6S,9S,12R,15S,18S,21S,24S,27S)-24-[(2S)-butan-2-yl]-12-cyclohexyl-4,10,16,22-tetramethyl-18-(2-methylpropyl)-15-[(1R)-1-oxidanylethyl]-3,6-bis(phenylmethyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.2.0]nonacosane-2,5,8,11,14,17,20,23,26-nonone

Systemtic Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-24-[(2S)-butan-2-yl]-12-cyclohexyl-4,10,16,22-tetramethyl-18-(2-methylpropyl)-15-[(1R)-1-oxidanylethyl]-3,6-bis(phenylmethyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.2.0]nonacosane-2,5,8,11,14,17,20,23,26-nonone Openeye Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-12-cyclohexyl-15-[(1R)-1-hydroxyethyl]-18-isobutyl-9,21-diisopropyl-4,10,16,22-tetramethyl-24-[(1S)-1-methylpropyl]-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.2.0]nonacosane-2,5,8,11,14,17,20,23,26-nonone CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-24-[(2S)-butan-2-yl]-12-cyclohexyl-15-[(1R)-1-hydroxyethyl]-4,10,16,22-tetramethyl-18-(2-methylpropyl)-3,6-bis(phenylmethyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.2.0]nonacosane-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-[(2S)-butan-2-yl]-12-cyclohexyl-15-[(1R)-1-hydroxyethyl]-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.2.0]nonacosane-2,5,8,11,14,17,20,23,26-nonone Traditional Name: (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-12-cyclohexyl-15-[(1R)-1-hydroxyethyl]-18-isobutyl-9,21-diisopropyl-4,10,16,22-tetramethyl-24-[(1S)-1-methylpropyl]-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.2.0]nonacosane-2,5,8,11,14,17,20,23,26-nonone Formula: C60H90N8O11 MolecularWeight: 1099.4036

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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)N2CCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C5CCCCC5)C(C)O)C)CC(C)C)C(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)N2CC[C@H]2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C5CCCCC5)[C@@H](C)O)C)CC(C)C)C(C)C)C

InChI

InChI=1S/C60H90N8O11/c1-14-38(8)47-58(76)65(11)48(36(4)5)53(71)61-43(32-35(2)3)56(74)67(13)50(39(9)69)60(78)79-51(42-28-22-17-23-29-42)59(77)66(12)49(37(6)7)54(72)62-44(33-40-24-18-15-19-25-40)55(73)64(10)46(34-41-26-20-16-21-27-41)57(75)68-31-30-45(68)52(70)63-47/h15-16,18-21,24-27,35-39,42-51,69H,14,17,22-23,28-34H2,1-13H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,51+/m0/s1