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

Systemtic Name: 1-[4-[(2S,5R,8S,11S,14S,17S,20S,26S,29S,32S)-20-ethyl-5,7,10,13,16,22,25,31-octamethyl-17-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-26-(2-methyl-2-oxidanyl-propyl)-8,11,32-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butyl]thiourea Openeye Name: 4-[(2S,5R,8S,11S,14S,17S,20S,26S,29S,32S)-20-ethyl-17-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-26-(2-hydroxy-2-methyl-propyl)-8,11,32-triisobutyl-14,29-diisopropyl-5,7,10,13,16,22,25,31-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylthiourea CAS Name: 4-[(2S,5R,8S,11S,14S,17S,20S,26S,29S,32S)-20-ethyl-17-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-26-(2-hydroxy-2-methylpropyl)-5,7,10,13,16,22,25,31-octamethyl-8,11,32-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylthiourea IUPAC Name: 4-[(2S,5R,8S,11S,14S,17S,20S,26S,29S,32S)-20-ethyl-17-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-26-(2-hydroxy-2-methylpropyl)-5,7,10,13,16,22,25,31-octamethyl-8,11,32-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylthiourea Traditional Name: 4-[(2S,5R,8S,11S,14S,17S,20S,26S,29S,32S)-20-ethyl-17-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-26-(2-hydroxy-2-methyl-propyl)-8,11,32-triisobutyl-14,29-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-5,7,10,13,16,22,25,31-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylthiourea Formula: C66H119N13O13S MolecularWeight: 1334.79536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC(=O)N(C(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)CCCCNC(=S)N)CC(C)C)C)C(C)C)CC(C)(C)O)C)C

Isomeric SMILES

CC[C@H]1C(=O)N(CC(=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)CCCCNC(=S)N)CC(C)C)C)C(C)C)CC(C)(C)O)C)C

InChI

InChI=1S/C66H119N13O13S/c1-24-26-29-42(13)54(81)53-58(85)70-44(25-2)60(87)73(17)36-50(80)74(18)49(35-66(15,16)92)57(84)72-51(40(9)10)63(90)75(19)46(32-37(3)4)56(83)71-45(30-27-28-31-68-65(67)93)55(82)69-43(14)59(86)76(20)47(33-38(5)6)61(88)77(21)48(34-39(7)8)62(89)78(22)52(41(11)12)64(91)79(53)23/h24,26,37-49,51-54,81,92H,25,27-36H2,1-23H3,(H,69,82)(H,70,85)(H,71,83)(H,72,84)(H3,67,68,93)/b26-24+/t42-,43-,44+,45+,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1