(3S,6S,9S,12R,15S,18S,21S,24S,27S)-12,24-bis[(2R)-butan-2-yl]-4,10,16,22-tetramethyl-18-(2-methylpropyl)-15-(2-oxidanylpropan-2-yl)-21-(3-oxidanylpropyl)-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)-12,24-bis[(2R)-butan-2-yl]-4,10,16,22-tetramethyl-18-(2-methylpropyl)-15-(2-oxidanylpropan-2-yl)-21-(3-oxidanylpropyl)-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)-21-(3-hydroxypropyl)-18-isobutyl-9-isopropyl-4,10,16,22-tetramethyl-12,24-bis[(1R)-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)-12,24-bis[(2R)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-21-(3-hydroxypropyl)-4,10,16,22-tetramethyl-18-(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-12,24-bis[(2R)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-21-(3-hydroxypropyl)-4,10,16,22-tetramethyl-18-(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)-21-(3-hydroxypropyl)-18-isobutyl-9-isopropyl-4,10,16,22-tetramethyl-12,24-bis[(1R)-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: C60H92N8O12 MolecularWeight: 1117.41888

Click to see the large picture

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)CCCO)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)CCCO)C

InChI

InChI=1S/C60H92N8O12/c1-15-38(7)47-57(76)64(11)44(30-24-32-69)51(70)61-42(33-36(3)4)55(74)67(14)50(60(9,10)79)59(78)80-49(39(8)16-2)58(77)66(13)48(37(5)6)53(72)62-43(34-40-25-19-17-20-26-40)54(73)65(12)46(35-41-27-21-18-22-28-41)56(75)68-31-23-29-45(68)52(71)63-47/h17-22,25-28,36-39,42-50,69,79H,15-16,23-24,29-35H2,1-14H3,(H,61,70)(H,62,72)(H,63,71)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1