[(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate

C215H305N33O82 — CID 91154205

About [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate

[(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate (PubChem CID 91154205) has the molecular formula C215H305N33O82 and a molecular weight of 4663.95 g/mol. Its IUPAC name is [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate
• PubChem CID: 91154205
• Molecular Formula: C215H305N33O82
• Molecular Weight: 4663.95 g/mol
• Exact Mass: 4661.07
• IUPAC Name: [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate
• SMILES: CCC(NC(C)=O)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(=O)NC)C(C)O[C@H]1OC(CO[C@@H]2OC(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C2NC(C)=O)[C@H](O)[C@H](O[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C2OC(C)=O)C1NC(C)=O.[H]/N=C(\NC)NCCCC(NC(=O)C(NC(=O)C(CC(C)=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)C(CCC(C)=O)NC(=O)C(Cc1ccccc1)NC(=O)CCCC(C)=O)C(C)C)C(C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)C(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C2NC(C)=O)C1NC(C)=O)C(C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)C(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC
• InChI: InChI=1S/C152H210N24O52.C63H95N9O30/c1-27-103(134(197)159-80(8)144(207)175-64-44-58-111(175)140(203)169-106(66-79(7)179)137(200)171-119(143(206)167-105(55-42-62-156-151(153)154-26)146(209)176-65-45-57-110(176)139(202)160-81(9)145(208)174-63-43-56-109(174)138(201)155-28-2)82(10)214-148-123(163-86(14)182)130(126(218-93(21)189)114(224-148)73-212-89(17)185)228-150-132(222-97(25)193)131(221-96(24)192)127(219-94(22)190)115(226-150)74-213-90(18)186)165-142(205)120(83(11)215-147-122(162-85(13)181)129(125(217-92(20)188)113(223-147)72-211-88(16)184)227-149-121(161-84(12)180)128(220-95(23)191)124(216-91(19)187)112(225-149)71-210-87(15)183)172-141(204)118(76(3)4)170-117(195)69-157-133(196)108(68-102-70-173(75-158-102)152(99-49-35-30-36-50-99,100-51-37-31-38-52-100)101-53-39-32-40-54-101)168-135(198)104(61-60-78(6)178)166-136(199)107(67-98-47-33-29-34-48-98)164-116(194)59-41-46-77(5)177;1-16-39(67-29(5)73)56(85)70-45(58(87)66-27(3)59(88)72-22-18-20-41(72)60(89)71-21-17-19-40(71)57(86)65-26(2)55(84)64-15)28(4)93-62-46(68-30(6)74)51(102-63-54(98-38(14)82)53(97-37(13)81)50(95-35(11)79)44(101-63)25-91-33(9)77)48(83)42(99-62)23-92-61-47(69-31(7)75)52(96-36(12)80)49(94-34(10)78)43(100-61)24-90-32(8)76/h29-40,47-54,70,75-76,80-83,103-115,118-132,147-150H,27-28,41-46,55-69,71-74H2,1-26H3,(H,155,201)(H,157,196)(H,159,197)(H,160,202)(H,161,180)(H,162,181)(H,163,182)(H,164,194)(H,165,205)(H,166,199)(H,167,206)(H,168,198)(H,169,203)(H,170,195)(H,171,200)(H,172,204)(H3,153,154,156);26-28,39-54,61-63,83H,16-25H2,1-15H3,(H,64,84)(H,65,86)(H,66,87)(H,67,73)(H,68,74)(H,69,75)(H,70,85)/t80?,81?,82?,83?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112-,113-,114-,115-,118?,119?,120?,121?,122?,123?,124+,125-,126-,127-,128?,129?,130?,131?,132?,147-,148-,149-,150-;26?,27?,28?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48-,49+,50-,51+,52+,53-,54?,61+,62-,63-/m00/s1
• InChIKey: QXSLRCOLZFRVKW-ZIHLOYSFSA-N
• XLogP: -7.17
• TPSA: 1510.64 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 85
• Rotatable Bonds: 109
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4663.95
LogP ≤ 5	-7.17
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	85

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate (CID 91154205) is [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate is CCC(NC(C)=O)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(=O)NC)C(C)O[C@H]1OC(CO[C@@H]2OC(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C2NC(C)=O)[C@H](O)[C@H](O[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C2OC(C)=O)C1NC(C)=O.[H]/N=C(\NC)NCCCC(NC(=O)C(NC(=O)C(CC(C)=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)C(CCC(C)=O)NC(=O)C(Cc1ccccc1)NC(=O)CCCC(C)=O)C(C)C)C(C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)C(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C2NC(C)=O)C1NC(C)=O)C(C)O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)C(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC.

What is the InChIKey of [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate?

The InChIKey is QXSLRCOLZFRVKW-ZIHLOYSFSA-N. The full InChI is InChI=1S/C152H210N24O52.C63H95N9O30/c1-27-103(134(197)159-80(8)144(207)175-64-44-58-111(175)140(203)169-106(66-79(7)179)137(200)171-119(143(206)167-105(55-42-62-156-151(153)154-26)146(209)176-65-45-57-110(176)139(202)160-81(9)145(208)174-63-43-56-109(174)138(201)155-28-2)82(10)214-148-123(163-86(14)182)130(126(218-93(21)189)114(224-148)73-212-89(17)185)228-150-132(222-97(25)193)131(221-96(24)192)127(219-94(22)190)115(226-150)74-213-90(18)186)165-142(205)120(83(11)215-147-122(162-85(13)181)129(125(217-92(20)188)113(223-147)72-211-88(16)184)227-149-121(161-84(12)180)128(220-95(23)191)124(216-91(19)187)112(225-149)71-210-87(15)183)172-141(204)118(76(3)4)170-117(195)69-157-133(196)108(68-102-70-173(75-158-102)152(99-49-35-30-36-50-99,100-51-37-31-38-52-100)101-53-39-32-40-54-101)168-135(198)104(61-60-78(6)178)166-136(199)107(67-98-47-33-29-34-48-98)164-116(194)59-41-46-77(5)177;1-16-39(67-29(5)73)56(85)70-45(58(87)66-27(3)59(88)72-22-18-20-41(72)60(89)71-21-17-19-40(71)57(86)65-26(2)55(84)64-15)28(4)93-62-46(68-30(6)74)51(102-63-54(98-38(14)82)53(97-37(13)81)50(95-35(11)79)44(101-63)25-91-33(9)77)48(83)42(99-62)23-92-61-47(69-31(7)75)52(96-36(12)80)49(94-34(10)78)43(100-61)24-90-32(8)76/h29-40,47-54,70,75-76,80-83,103-115,118-132,147-150H,27-28,41-46,55-69,71-74H2,1-26H3,(H,155,201)(H,157,196)(H,159,197)(H,160,202)(H,161,180)(H,162,181)(H,163,182)(H,164,194)(H,165,205)(H,166,199)(H,167,206)(H,168,198)(H,169,203)(H,170,195)(H,171,200)(H,172,204)(H3,153,154,156);26-28,39-54,61-63,83H,16-25H2,1-15H3,(H,64,84)(H,65,86)(H,66,87)(H,67,73)(H,68,74)(H,69,75)(H,70,85)/t80?,81?,82?,83?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112-,113-,114-,115-,118?,119?,120?,121?,122?,123?,124+,125-,126-,127-,128?,129?,130?,131?,132?,147-,148-,149-,150-;26?,27?,28?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48-,49+,50-,51+,52+,53-,54?,61+,62-,63-/m00/s1.

What are the key properties of [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate?

[(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate has a molecular weight of 4663.95 g/mol, XLogP of -7.17, 109 rotatable bonds, 27 hydrogen bond donors, and 85 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,6R)-5-acetamido-6-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-[[1-[2-[[1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-[[2-[[2-[[5-oxo-2-[[2-(5-oxohexanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-4-oxobutan-2-yl]oxy-5-acetyloxy-6-(acetyloxymethyl)oxan-4-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate;[(3S,4R,6R)-5-acetamido-6-[[(3R,4R,6S)-5-acetamido-6-[3-(2-acetamidobutanoylamino)-4-[[1-[2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl]oxy-3-hydroxy-4-[(2R,4S,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 91154205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).