9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate

C106H170N12O46 — CID 58373002

IUPAC9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCOCC1OC(NC(=O)CNC(=O)C2=CN([C@H]3C(C)O[C@@H](O[C@H]4C(COC)O[C@@H](O[C@H]5C(COC)OC(NC(=O)CNC(=O)C6=CN([C@H]7C(C)O[C@@H](O[C@H]8C(COC)O[C@@H](O[C@H]9C(COC)OC(NC(=O)CNC(=O)OCC%10c%11ccccc%11-c%11ccccc%11%10)C(OC)[C@H]9OC)C(OC)[C@H]8OC)C(OC)[C@H]7OC)NN6)C(OC)[C@H]5OC)C(OC)[C@H]4OC)C(OC)[C@H]3OC)NN2)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(COC)[C@H](O[C@@H]2OC(C)[C@H](C)[C@H](OC)C2OC)[C@H](OC)C1OC
InChIInChI=1S/C106H170N12O46/c1-49-50(2)150-100(89(143-23)71(49)131-11)159-75-63(46-128-8)156-103(92(146-26)83(75)137-17)162-72-60(43-125-5)153-97(86(140-20)80(72)134-14)110-66(119)37-107-95(122)58-40-117(115-113-58)69-51(3)151-101(90(144-24)78(69)132-12)160-76-64(47-129-9)157-104(93(147-27)84(76)138-18)163-73-61(44-126-6)154-98(87(141-21)81(73)135-15)111-67(120)38-108-96(123)59-41-118(116-114-59)70-52(4)152-102(91(145-25)79(70)133-13)161-77-65(48-130-10)158-105(94(148-28)85(77)139-19)164-74-62(45-127-7)155-99(88(142-22)82(74)136-16)112-68(121)39-109-106(124)149-42-57-55-35-31-29-33-53(55)54-34-30-32-36-56(54)57/h29-36,40-41,49-52,57,60-65,69-94,97-105,113-116H,37-39,42-48H2,1-28H3,(H,107,122)(H,108,123)(H,109,124)(H,110,119)(H,111,120)(H,112,121)/t49-,50?,51?,52?,60?,61?,62?,63?,64?,65?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86?,87?,88?,89?,90?,91?,92?,93?,94?,97?,98?,99?,100-,101-,102-,103-,104-,105-/m0/s1
InChIKeyQRTYSWBSJDLBMV-CBKXZLBWSA-N
MW2348.56 g/mol
LogP-3.14
Rot. Bonds57

About 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 58373002) has the molecular formula C106H170N12O46 and a molecular weight of 2348.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID58373002
Molecular FormulaC106H170N12O46
Molecular Weight2348.56 g/mol
Exact Mass2347.13
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate
SMILESCOCC1OC(NC(=O)CNC(=O)C2=CN([C@H]3C(C)O[C@@H](O[C@H]4C(COC)O[C@@H](O[C@H]5C(COC)OC(NC(=O)CNC(=O)C6=CN([C@H]7C(C)O[C@@H](O[C@H]8C(COC)O[C@@H](O[C@H]9C(COC)OC(NC(=O)CNC(=O)OCC%10c%11ccccc%11-c%11ccccc%11%10)C(OC)[C@H]9OC)C(OC)[C@H]8OC)C(OC)[C@H]7OC)NN6)C(OC)[C@H]5OC)C(OC)[C@H]4OC)C(OC)[C@H]3OC)NN2)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(COC)[C@H](O[C@@H]2OC(C)[C@H](C)[C@H](OC)C2OC)[C@H](OC)C1OC
InChIInChI=1S/C106H170N12O46/c1-49-50(2)150-100(89(143-23)71(49)131-11)159-75-63(46-128-8)156-103(92(146-26)83(75)137-17)162-72-60(43-125-5)153-97(86(140-20)80(72)134-14)110-66(119)37-107-95(122)58-40-117(115-113-58)69-51(3)151-101(90(144-24)78(69)132-12)160-76-64(47-129-9)157-104(93(147-27)84(76)138-18)163-73-61(44-126-6)154-98(87(141-21)81(73)135-15)111-67(120)38-108-96(123)59-41-118(116-114-59)70-52(4)152-102(91(145-25)79(70)133-13)161-77-65(48-130-10)158-105(94(148-28)85(77)139-19)164-74-62(45-127-7)155-99(88(142-22)82(74)136-16)112-68(121)39-109-106(124)149-42-57-55-35-31-29-33-53(55)54-34-30-32-36-56(54)57/h29-36,40-41,49-52,57,60-65,69-94,97-105,113-116H,37-39,42-48H2,1-28H3,(H,107,122)(H,108,123)(H,109,124)(H,110,119)(H,111,120)(H,112,121)/t49-,50?,51?,52?,60?,61?,62?,63?,64?,65?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86?,87?,88?,89?,90?,91?,92?,93?,94?,97?,98?,99?,100-,101-,102-,103-,104-,105-/m0/s1
InChIKeyQRTYSWBSJDLBMV-CBKXZLBWSA-N
XLogP-3.14
TPSA598.40 Ų
H-Bond Donors10
H-Bond Acceptors52
Rotatable Bonds57
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.56
LogP ≤ 5-3.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1052

Analyze 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl 4-[[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[2-[[2-[[2-[[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[[2-[2-[[2-[[(4R,5S)-5-[(2S,4R,5S)-5-[(2S,4R,5R)-5-[(2-acetylsulfanylacetyl)amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylacetyl]amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]sulfanylmethyl]prop-2-enylamino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-4-oxobutanoate
CID 123945239
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
2-amino-N-[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[[(1R,4R,5S)-4-(hydroxymethyl)-5,6-dimethoxy-3-(methoxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]acetamide
CID 58372995
N-[5-[5-[(5R)-5-acetamido-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]-3-[2-[[(3R)-6-[6-[6-[[2-[[2-[[2-[[5-[5-[(5R)-5-[[2-[3-[[5-[5-[(5R)-5-acetamido-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-3-oxopropyl]-3,4-dioxocyclobuten-1-yl]amino]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]amino]-3,4-dioxocyclobuten-1-yl]amino]acetyl]amino]-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]amino]-3,4-dioxocyclobuten-1-yl]propanamide
CID 159435740
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
CID 15339929
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]carbamate
CID 67640853
9H-fluoren-9-ylmethyl N-[2-[4,6-diacetamido-3-[6-[[[2-[2-[2-[2-[[6-[4,6-diacetamido-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-methoxycyclohexyl]oxy-5-(hydroxymethyl)-3,4-dimethoxyoxan-2-yl]methylamino]-2-oxoethyl]sulfanylethoxy]ethylsulfanyl]acetyl]amino]methyl]-4,5-bis(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)cyclohexyl]oxy-3-(hydroxymethyl)-5-methoxy-6-(methoxymethyl)oxan-4-yl]carbamate
CID 58373004
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate (CID 58373002) is 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate is COCC1OC(NC(=O)CNC(=O)C2=CN([C@H]3C(C)O[C@@H](O[C@H]4C(COC)O[C@@H](O[C@H]5C(COC)OC(NC(=O)CNC(=O)C6=CN([C@H]7C(C)O[C@@H](O[C@H]8C(COC)O[C@@H](O[C@H]9C(COC)OC(NC(=O)CNC(=O)OCC%10c%11ccccc%11-c%11ccccc%11%10)C(OC)[C@H]9OC)C(OC)[C@H]8OC)C(OC)[C@H]7OC)NN6)C(OC)[C@H]5OC)C(OC)[C@H]4OC)C(OC)[C@H]3OC)NN2)C(OC)[C@@H](OC)[C@H]1O[C@@H]1OC(COC)[C@H](O[C@@H]2OC(C)[C@H](C)[C@H](OC)C2OC)[C@H](OC)C1OC.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is QRTYSWBSJDLBMV-CBKXZLBWSA-N. The full InChI is InChI=1S/C106H170N12O46/c1-49-50(2)150-100(89(143-23)71(49)131-11)159-75-63(46-128-8)156-103(92(146-26)83(75)137-17)162-72-60(43-125-5)153-97(86(140-20)80(72)134-14)110-66(119)37-107-95(122)58-40-117(115-113-58)69-51(3)151-101(90(144-24)78(69)132-12)160-76-64(47-129-9)157-104(93(147-27)84(76)138-18)163-73-61(44-126-6)154-98(87(141-21)81(73)135-15)111-67(120)38-108-96(123)59-41-118(116-114-59)70-52(4)152-102(91(145-25)79(70)133-13)161-77-65(48-130-10)158-105(94(148-28)85(77)139-19)164-74-62(45-127-7)155-99(88(142-22)82(74)136-16)112-68(121)39-109-106(124)149-42-57-55-35-31-29-33-53(55)54-34-30-32-36-56(54)57/h29-36,40-41,49-52,57,60-65,69-94,97-105,113-116H,37-39,42-48H2,1-28H3,(H,107,122)(H,108,123)(H,109,124)(H,110,119)(H,111,120)(H,112,121)/t49-,50?,51?,52?,60?,61?,62?,63?,64?,65?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86?,87?,88?,89?,90?,91?,92?,93?,94?,97?,98?,99?,100-,101-,102-,103-,104-,105-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 2348.56 g/mol, XLogP of -3.14, 57 rotatable bonds, 10 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-5-[5-[[2-[[(4S,5S)-5-[(2S,4S,5S)-5-[(2S,4S,5S)-3,4-dimethoxy-5,6-dimethyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamoyl]-1,2-dihydrotriazol-3-yl]-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 58373002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).