Question 1

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid?

Accepted Answer

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid (CID 171666665) is 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid.

Question 2

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid?

Accepted Answer

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid is [H]/N=C(\N)NCCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)C(C)CC)C(C)CC.

Question 3

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid?

Accepted Answer

The InChIKey is NIUWIPHYKHTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H275N57O44S/c1-10-88(7)132(224-148(254)109(53-58-126(176)230)207-137(243)102(44-27-66-190-163(178)179)198-134(240)95(173)79-130(236)237)159(265)211-101(43-22-26-65-172)147(253)223-133(89(8)11-2)160(266)220-118(78-92-83-197-97-39-18-16-37-94(92)97)153(259)216-116(76-90-34-13-12-14-35-90)151(257)209-108(52-57-125(175)229)144(250)218-119(80-127(177)231)154(260)204-104(46-29-68-192-165(182)183)138(244)201-103(45-28-67-191-164(180)181)140(246)210-111(61-73-270-9)146(252)200-100(42-21-25-64-171)142(248)217-117(77-91-82-196-96-38-17-15-36-93(91)96)152(258)202-99(41-20-24-63-170)135(241)199-98(40-19-23-62-169)136(242)206-107(51-56-124(174)228)143(249)214-114(74-86(3)4)149(255)203-106(48-31-70-194-167(186)187)141(247)212-112(49-32-71-195-168(188)189)161(267)225-72-33-50-123(225)158(264)222-122(85-227)157(263)219-120(81-131(238)239)155(261)205-105(47-30-69-193-166(184)185)139(245)208-110(54-59-128(232)233)145(251)215-115(75-87(5)6)150(256)221-121(84-226)156(262)213-113(162(268)269)55-60-129(234)235/h12-18,34-39,82-83,86-89,95,98-123,132-133,196-197,226-227H,10-11,19-33,40-81,84-85,169-173H2,1-9H3,(H2,174,228)(H2,175,229)(H2,176,230)(H2,177,231)(H,198,240)(H,199,241)(H,200,252)(H,201,244)(H,202,258)(H,203,255)(H,204,260)(H,205,261)(H,206,242)(H,207,243)(H,208,245)(H,209,257)(H,210,246)(H,211,265)(H,212,247)(H,213,262)(H,214,249)(H,215,251)(H,216,259)(H,217,248)(H,218,250)(H,219,263)(H,220,266)(H,221,256)(H,222,264)(H,223,253)(H,224,254)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,268,269)(H4,178,179,190)(H4,180,181,191)(H4,182,183,192)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195).

Question 4

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid?

Accepted Answer

2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid has a molecular weight of 3829.47 g/mol, XLogP of -15.46, 136 rotatable bonds, 63 hydrogen bond donors, and 51 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid is sourced from PubChem (CID 171666665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Rule	Value
MW ≤ 500	3829.47
LogP ≤ 5	-15.46
H-Bond Donors ≤ 5	63
H-Bond Acceptors ≤ 10	51

Molecular Properties

Lipinski Rule of Five

Related Compounds

Frequently Asked Questions

Compound Name	2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
PubChem CID	171666665
Molecular Formula	C168H275N57O44S
Molecular Weight	3829.47 g/mol
Exact Mass	3827.08
IUPAC Name	2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
SMILES	[H]/N=C(\N)NCCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)C(C)CC)C(C)CC
InChI	InChI=1S/C168H275N57O44S/c1-10-88(7)132(224-148(254)109(53-58-126(176)230)207-137(243)102(44-27-66-190-163(178)179)198-134(240)95(173)79-130(236)237)159(265)211-101(43-22-26-65-172)147(253)223-133(89(8)11-2)160(266)220-118(78-92-83-197-97-39-18-16-37-94(92)97)153(259)216-116(76-90-34-13-12-14-35-90)151(257)209-108(52-57-125(175)229)144(250)218-119(80-127(177)231)154(260)204-104(46-29-68-192-165(182)183)138(244)201-103(45-28-67-191-164(180)181)140(246)210-111(61-73-270-9)146(252)200-100(42-21-25-64-171)142(248)217-117(77-91-82-196-96-38-17-15-36-93(91)96)152(258)202-99(41-20-24-63-170)135(241)199-98(40-19-23-62-169)136(242)206-107(51-56-124(174)228)143(249)214-114(74-86(3)4)149(255)203-106(48-31-70-194-167(186)187)141(247)212-112(49-32-71-195-168(188)189)161(267)225-72-33-50-123(225)158(264)222-122(85-227)157(263)219-120(81-131(238)239)155(261)205-105(47-30-69-193-166(184)185)139(245)208-110(54-59-128(232)233)145(251)215-115(75-87(5)6)150(256)221-121(84-226)156(262)213-113(162(268)269)55-60-129(234)235/h12-18,34-39,82-83,86-89,95,98-123,132-133,196-197,226-227H,10-11,19-33,40-81,84-85,169-173H2,1-9H3,(H2,174,228)(H2,175,229)(H2,176,230)(H2,177,231)(H,198,240)(H,199,241)(H,200,252)(H,201,244)(H,202,258)(H,203,255)(H,204,260)(H,205,261)(H,206,242)(H,207,243)(H,208,245)(H,209,257)(H,210,246)(H,211,265)(H,212,247)(H,213,262)(H,214,249)(H,215,251)(H,216,259)(H,217,248)(H,218,250)(H,219,263)(H,220,266)(H,221,256)(H,222,264)(H,223,253)(H,224,254)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,268,269)(H4,178,179,190)(H4,180,181,191)(H4,182,183,192)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)
InChIKey	NIUWIPHYKHTCRU-UHFFFAOYSA-N
XLogP	-15.46
TPSA	1738.41 Å²
H-Bond Donors	63
H-Bond Acceptors	51
Rotatable Bonds	136
Heavy Atoms	270
Complexity	—