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(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-dimethylaminoethylsulfanyl)-30-ethyl-1,4,7,10,12,15,19,28-octamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-24-(2-methyl-2-oxidanyl-propyl)-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Systemtic Name:	(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-dimethylaminoethylsulfanyl)-30-ethyl-1,4,7,10,12,15,19,28-octamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-24-(2-methyl-2-oxidanyl-propyl)-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Openeye Name:	(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-dimethylaminoethylsulfanyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-24-(2-hydroxy-2-methyl-propyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CAS Name:	(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-dimethylaminoethylthio)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC Name:	(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-dimethylaminoethylsulfanyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Traditional Name:	(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-dimethylaminoethylthio)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-24-(2-hydroxy-2-methyl-propyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Formula:	C₆₅H₁₁₈N₁₂O₁₃S
MolecularWeight:	1307.77002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)(C)O)SCCN(C)C)C

Isomeric SMILES

CC[C@H]1C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)(C)O)SCCN(C)C)C

InChI

InChI=1S/C65H118N12O13S/c1-26-28-29-41(13)52(78)51-56(82)68-44(27-2)59(85)77(25)64(91-31-30-71(18)19)57(83)69-45(35-65(16,17)90)54(80)70-49(39(9)10)62(88)72(20)46(32-36(3)4)55(81)66-42(14)53(79)67-43(15)58(84)73(21)47(33-37(5)6)60(86)74(22)48(34-38(7)8)61(87)75(23)50(40(11)12)63(89)76(51)24/h26,28,36-52,64,78,90H,27,29-35H2,1-25H3,(H,66,81)(H,67,79)(H,68,82)(H,69,83)(H,70,80)/b28-26+/t41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,64-/m1/s1

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