(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone

C202H284N40O32S4 — CID 134139429

IUPAC(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone
SMILESCC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CCSSCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CCSSCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C202H284N40O32S4/c1-103(2)77-147-181(253)217-121(35)177(249)237-171(115(25)26)199(271)241-173(117(29)30)201(273)239-169(113(21)22)197(269)233-161(91-129-99-211-145-67-51-43-59-137(129)145)193(265)225-153(83-109(13)14)187(259)231-159(89-127-97-209-143-65-49-41-57-135(127)143)191(263)223-151(81-107(9)10)185(257)229-158(88-126-96-208-142-64-48-40-56-134(126)142)190(262)222-150(80-106(7)8)184(256)228-156(86-124-94-206-140-62-46-38-54-132(124)140)180(252)204-72-76-278-276-74-70-164(244)236-168(112(19)20)196(268)214-102-166(246)216-120(34)176(248)220-148(78-104(3)4)182(254)218-122(36)178(250)238-172(116(27)28)200(272)242-174(118(31)32)202(274)240-170(114(23)24)198(270)234-162(92-130-100-212-146-68-52-44-60-138(130)146)194(266)226-154(84-110(15)16)188(260)232-160(90-128-98-210-144-66-50-42-58-136(128)144)192(264)224-152(82-108(11)12)186(258)230-157(87-125-95-207-141-63-47-39-55-133(125)141)189(261)221-149(79-105(5)6)183(255)227-155(85-123-93-205-139-61-45-37-53-131(123)139)179(251)203-71-75-277-275-73-69-163(243)235-167(111(17)18)195(267)213-101-165(245)215-119(33)175(247)219-147/h37-68,93-100,103-122,147-162,167-174,205-212H,69-92,101-102H2,1-36H3,(H,203,251)(H,204,252)(H,213,267)(H,214,268)(H,215,245)(H,216,246)(H,217,253)(H,218,254)(H,219,247)(H,220,248)(H,221,261)(H,222,262)(H,223,263)(H,224,264)(H,225,265)(H,226,266)(H,227,255)(H,228,256)(H,229,257)(H,230,258)(H,231,259)(H,232,260)(H,233,269)(H,234,270)(H,235,243)(H,236,244)(H,237,249)(H,238,250)(H,239,273)(H,240,274)(H,241,271)(H,242,272)/t119-,120-,121-,122-,147+,148+,149+,150+,151+,152+,153+,154+,155-,156-,157-,158-,159-,160-,161-,162-,167-,168-,169+,170+,171+,172+,173-,174-/m0/s1
InChIKeyGUMUBTUUEVKTKZ-JXIMRDFDSA-N
MW3913.01 g/mol
LogP13.07
Rot. Bonds40

About (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone

(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone (PubChem CID 134139429) has the molecular formula C202H284N40O32S4 and a molecular weight of 3913.01 g/mol. Its IUPAC name is (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone.

Molecular Properties

Compound Name(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone
PubChem CID134139429
Molecular FormulaC202H284N40O32S4
Molecular Weight3913.01 g/mol
Exact Mass3910.07
IUPAC Name(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone
SMILESCC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CCSSCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CCSSCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C202H284N40O32S4/c1-103(2)77-147-181(253)217-121(35)177(249)237-171(115(25)26)199(271)241-173(117(29)30)201(273)239-169(113(21)22)197(269)233-161(91-129-99-211-145-67-51-43-59-137(129)145)193(265)225-153(83-109(13)14)187(259)231-159(89-127-97-209-143-65-49-41-57-135(127)143)191(263)223-151(81-107(9)10)185(257)229-158(88-126-96-208-142-64-48-40-56-134(126)142)190(262)222-150(80-106(7)8)184(256)228-156(86-124-94-206-140-62-46-38-54-132(124)140)180(252)204-72-76-278-276-74-70-164(244)236-168(112(19)20)196(268)214-102-166(246)216-120(34)176(248)220-148(78-104(3)4)182(254)218-122(36)178(250)238-172(116(27)28)200(272)242-174(118(31)32)202(274)240-170(114(23)24)198(270)234-162(92-130-100-212-146-68-52-44-60-138(130)146)194(266)226-154(84-110(15)16)188(260)232-160(90-128-98-210-144-66-50-42-58-136(128)144)192(264)224-152(82-108(11)12)186(258)230-157(87-125-95-207-141-63-47-39-55-133(125)141)189(261)221-149(79-105(5)6)183(255)227-155(85-123-93-205-139-61-45-37-53-131(123)139)179(251)203-71-75-277-275-73-69-163(243)235-167(111(17)18)195(267)213-101-165(245)215-119(33)175(247)219-147/h37-68,93-100,103-122,147-162,167-174,205-212H,69-92,101-102H2,1-36H3,(H,203,251)(H,204,252)(H,213,267)(H,214,268)(H,215,245)(H,216,246)(H,217,253)(H,218,254)(H,219,247)(H,220,248)(H,221,261)(H,222,262)(H,223,263)(H,224,264)(H,225,265)(H,226,266)(H,227,255)(H,228,256)(H,229,257)(H,230,258)(H,231,259)(H,232,260)(H,233,269)(H,234,270)(H,235,243)(H,236,244)(H,237,249)(H,238,250)(H,239,273)(H,240,274)(H,241,271)(H,242,272)/t119-,120-,121-,122-,147+,148+,149+,150+,151+,152+,153+,154+,155-,156-,157-,158-,159-,160-,161-,162-,167-,168-,169+,170+,171+,172+,173-,174-/m0/s1
InChIKeyGUMUBTUUEVKTKZ-JXIMRDFDSA-N
XLogP13.07
TPSA1057.52 Ų
H-Bond Donors40
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003913.01
LogP ≤ 513.07
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1036

Analyze (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone?
The IUPAC name of (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone (CID 134139429) is (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone.
What is the SMILES notation for (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone?
The canonical SMILES for (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone is CC(C)C[C@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CCSSCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CCSSCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC1=O.
What is the InChIKey of (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone?
The InChIKey is GUMUBTUUEVKTKZ-JXIMRDFDSA-N. The full InChI is InChI=1S/C202H284N40O32S4/c1-103(2)77-147-181(253)217-121(35)177(249)237-171(115(25)26)199(271)241-173(117(29)30)201(273)239-169(113(21)22)197(269)233-161(91-129-99-211-145-67-51-43-59-137(129)145)193(265)225-153(83-109(13)14)187(259)231-159(89-127-97-209-143-65-49-41-57-135(127)143)191(263)223-151(81-107(9)10)185(257)229-158(88-126-96-208-142-64-48-40-56-134(126)142)190(262)222-150(80-106(7)8)184(256)228-156(86-124-94-206-140-62-46-38-54-132(124)140)180(252)204-72-76-278-276-74-70-164(244)236-168(112(19)20)196(268)214-102-166(246)216-120(34)176(248)220-148(78-104(3)4)182(254)218-122(36)178(250)238-172(116(27)28)200(272)242-174(118(31)32)202(274)240-170(114(23)24)198(270)234-162(92-130-100-212-146-68-52-44-60-138(130)146)194(266)226-154(84-110(15)16)188(260)232-160(90-128-98-210-144-66-50-42-58-136(128)144)192(264)224-152(82-108(11)12)186(258)230-157(87-125-95-207-141-63-47-39-55-133(125)141)189(261)221-149(79-105(5)6)183(255)227-155(85-123-93-205-139-61-45-37-53-131(123)139)179(251)203-71-75-277-275-73-69-163(243)235-167(111(17)18)195(267)213-101-165(245)215-119(33)175(247)219-147/h37-68,93-100,103-122,147-162,167-174,205-212H,69-92,101-102H2,1-36H3,(H,203,251)(H,204,252)(H,213,267)(H,214,268)(H,215,245)(H,216,246)(H,217,253)(H,218,254)(H,219,247)(H,220,248)(H,221,261)(H,222,262)(H,223,263)(H,224,264)(H,225,265)(H,226,266)(H,227,255)(H,228,256)(H,229,257)(H,230,258)(H,231,259)(H,232,260)(H,233,269)(H,234,270)(H,235,243)(H,236,244)(H,237,249)(H,238,250)(H,239,273)(H,240,274)(H,241,271)(H,242,272)/t119-,120-,121-,122-,147+,148+,149+,150+,151+,152+,153+,154+,155-,156-,157-,158-,159-,160-,161-,162-,167-,168-,169+,170+,171+,172+,173-,174-/m0/s1.
What are the key properties of (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone?
(7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone has a molecular weight of 3913.01 g/mol, XLogP of 13.07, 40 rotatable bonds, 40 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S,40R,43S,49S,60S,63R,66S,69R,72S,75R,78S,81R,84S,87R,90S,93R,96S,102S)-7,13,19,25,60,66,72,78-octakis(1H-indol-3-ylmethyl)-37,43,90,96-tetramethyl-10,16,22,40,63,69,75,93-octakis(2-methylpropyl)-28,31,34,49,81,84,87,102-octa(propan-2-yl)-1,2,54,55-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103-dotriacontazacyclohexahectane-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-dotriacontone is sourced from PubChem (CID 134139429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).