(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)

C137H221N13O76S2 — CID 159756427

IUPAC(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)
SMILESCNC(=O)CCCCCN1C(=O)C=CC1=O.CNC(=O)CCCCCN1C(=O)C=CC1=O.CNC(=O)CCCCN1C(=O)CC(SCCC(=O)NCCO[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5C)C(O[C@@]5(C(=O)O)C[C@H](O)[C@H](C)C([C@H](O)[C@H](O)CO)O5)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)C1=O.CNC(=O)CCCCN1C(=O)CC(SCCC(=O)NCCO[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO[C@]4(C(=O)O)C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O4)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5NC(C)=O)C(O[C@@]5(C(=O)O)C[C@H](O)[C@H](C)C([C@H](O)[C@H](O)CO)O5)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)C1=O
InChIInChI=1S/C63H103N5O39S.C52H86N4O31S.2C11H16N2O3/c1-23-27(76)15-62(60(92)93,105-49(23)41(83)29(78)17-69)97-22-34-45(87)52(40(67-26(4)75)57(101-34)104-53-44(86)32(20-72)99-58(47(53)89)96-12-10-65-37(81)9-13-108-35-14-38(82)68(55(35)91)11-7-6-8-36(80)64-5)103-59-48(90)54(107-63(61(94)95)16-28(77)24(2)50(106-63)42(84)30(79)18-70)51(33(21-73)100-59)102-56-39(66-25(3)74)46(88)43(85)31(19-71)98-56;1-20-23(63)14-52(51(76)77,86-41(20)35(69)24(64)15-57)87-45-40(74)50(82-28(19-61)42(45)83-47-21(2)34(68)36(70)25(16-58)79-47)84-43-33(55-22(3)62)48(80-26(17-59)37(43)71)85-44-38(72)27(18-60)81-49(39(44)73)78-11-9-54-31(66)8-12-88-29-13-32(67)56(46(29)75)10-6-5-7-30(65)53-4;2*1-12-9(14)5-3-2-4-8-13-10(15)6-7-11(13)16/h23-24,27-35,39-54,56-59,69-73,76-79,83-90H,6-22H2,1-5H3,(H,64,80)(H,65,81)(H,66,74)(H,67,75)(H,92,93)(H,94,95);20-21,23-29,33-45,47-50,57-61,63-64,68-74H,5-19H2,1-4H3,(H,53,65)(H,54,66)(H,55,62)(H,76,77);2*6-7H,2-5,8H2,1H3,(H,12,14)/t23-,24+,27-,28+,29-,30-,31?,32?,33?,34?,35?,39+,40+,41-,42-,43+,44+,45-,46?,47+,48+,49?,50?,51+,52?,53?,54?,56+,57+,58-,59+,62-,63-;20-,21-,23-,24+,25?,26?,27?,28?,29?,33-,34?,35+,36-,37+,38-,39-,40-,41?,42-,43?,44?,45?,47-,48-,49+,50-,52+;;/m10../s1
InChIKeyNEHYWOSVVWIEFK-WGYBDXNSSA-N
MW3330.42 g/mol
LogP-21.82
Rot. Bonds79

About (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)

(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide) (PubChem CID 159756427) has the molecular formula C137H221N13O76S2 and a molecular weight of 3330.42 g/mol. Its IUPAC name is (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide).

Molecular Properties

Compound Name(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)
PubChem CID159756427
Molecular FormulaC137H221N13O76S2
Molecular Weight3330.42 g/mol
Exact Mass3328.33
IUPAC Name(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)
SMILESCNC(=O)CCCCCN1C(=O)C=CC1=O.CNC(=O)CCCCCN1C(=O)C=CC1=O.CNC(=O)CCCCN1C(=O)CC(SCCC(=O)NCCO[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5C)C(O[C@@]5(C(=O)O)C[C@H](O)[C@H](C)C([C@H](O)[C@H](O)CO)O5)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)C1=O.CNC(=O)CCCCN1C(=O)CC(SCCC(=O)NCCO[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO[C@]4(C(=O)O)C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O4)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5NC(C)=O)C(O[C@@]5(C(=O)O)C[C@H](O)[C@H](C)C([C@H](O)[C@H](O)CO)O5)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)C1=O
InChIInChI=1S/C63H103N5O39S.C52H86N4O31S.2C11H16N2O3/c1-23-27(76)15-62(60(92)93,105-49(23)41(83)29(78)17-69)97-22-34-45(87)52(40(67-26(4)75)57(101-34)104-53-44(86)32(20-72)99-58(47(53)89)96-12-10-65-37(81)9-13-108-35-14-38(82)68(55(35)91)11-7-6-8-36(80)64-5)103-59-48(90)54(107-63(61(94)95)16-28(77)24(2)50(106-63)42(84)30(79)18-70)51(33(21-73)100-59)102-56-39(66-25(3)74)46(88)43(85)31(19-71)98-56;1-20-23(63)14-52(51(76)77,86-41(20)35(69)24(64)15-57)87-45-40(74)50(82-28(19-61)42(45)83-47-21(2)34(68)36(70)25(16-58)79-47)84-43-33(55-22(3)62)48(80-26(17-59)37(43)71)85-44-38(72)27(18-60)81-49(39(44)73)78-11-9-54-31(66)8-12-88-29-13-32(67)56(46(29)75)10-6-5-7-30(65)53-4;2*1-12-9(14)5-3-2-4-8-13-10(15)6-7-11(13)16/h23-24,27-35,39-54,56-59,69-73,76-79,83-90H,6-22H2,1-5H3,(H,64,80)(H,65,81)(H,66,74)(H,67,75)(H,92,93)(H,94,95);20-21,23-29,33-45,47-50,57-61,63-64,68-74H,5-19H2,1-4H3,(H,53,65)(H,54,66)(H,55,62)(H,76,77);2*6-7H,2-5,8H2,1H3,(H,12,14)/t23-,24+,27-,28+,29-,30-,31?,32?,33?,34?,35?,39+,40+,41-,42-,43+,44+,45-,46?,47+,48+,49?,50?,51+,52?,53?,54?,56+,57+,58-,59+,62-,63-;20-,21-,23-,24+,25?,26?,27?,28?,29?,33-,34?,35+,36-,37+,38-,39-,40-,41?,42-,43?,44?,45?,47-,48-,49+,50-,52+;;/m10../s1
InChIKeyNEHYWOSVVWIEFK-WGYBDXNSSA-N
XLogP-21.82
TPSA1353.51 Ų
H-Bond Donors43
H-Bond Acceptors75
Rotatable Bonds79
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003330.42
LogP ≤ 5-21.82
H-Bond Donors ≤ 543
H-Bond Acceptors ≤ 1075

Analyze (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide) with MolForge

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Launch Full Analysis

Related Compounds

(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,4R,5S)-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-4-[(2R,3S,5R)-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide);methane
CID 159345754
(2R,4R,5R)-2-[[(3S,4R,6S)-5-acetamido-4-[(2R,4R,5S)-4-[(2R,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,4S,5S)-3,5-dihydroxy-2-[(3S,6R)-5-hydroxy-2-(hydroxymethyl)-6-[5-[3-[1-[6-(methylamino)-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]pentoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 121459042
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-4-[(2R,4R,5S,6S)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 121452854
(2S,5R,6R)-2-[(2R,4S,5S)-2-[(2S,4R,5R)-3-acetamido-2-[(3S,4R,6S)-4-[(2S,5R,6R)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 162038109
(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6R)-5-acetamido-6-(2-aminoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 161497608
(2R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6R)-5-acetamido-6-(2-aminoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5R)-3,5-dihydroxy-4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 160950317
(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S,6S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6R)-5-acetamido-6-(2-aminoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5R)-3,5-dihydroxy-4-[(2R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 159392834
(2R,4R,5R)-5-[3-[4-[1-[4-[2-[(2R,4R,5S)-5-[(2R,4R,5S)-3-acetamido-5-[(2R,4R,5S)-6-formyloxy-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-formyloxy-3,4-dihydroxyoxan-2-yl]oxyethylamino]-4-oxobutyl]-2,5-dioxopyrrolidin-3-yl]sulfanylbutanoylamino]-2-oxopropyl]-2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 146785044
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 91862018
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 124708467
(2S,4S,5R,6R)-5-acetamido-2-[(3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 91846282
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 91852569

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)?
The IUPAC name of (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide) (CID 159756427) is (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide).
What is the SMILES notation for (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)?
The canonical SMILES for (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide) is CNC(=O)CCCCCN1C(=O)C=CC1=O.CNC(=O)CCCCCN1C(=O)C=CC1=O.CNC(=O)CCCCN1C(=O)CC(SCCC(=O)NCCO[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5C)C(O[C@@]5(C(=O)O)C[C@H](O)[C@H](C)C([C@H](O)[C@H](O)CO)O5)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)C1=O.CNC(=O)CCCCN1C(=O)CC(SCCC(=O)NCCO[C@@H]2OC(CO)[C@H](O)C(O[C@@H]3OC(CO[C@]4(C(=O)O)C[C@@H](O)[C@@H](C)C([C@H](O)[C@H](O)CO)O4)[C@@H](O)C(O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)C(O)[C@@H]5NC(C)=O)C(O[C@@]5(C(=O)O)C[C@H](O)[C@H](C)C([C@H](O)[C@H](O)CO)O5)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)C1=O.
What is the InChIKey of (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)?
The InChIKey is NEHYWOSVVWIEFK-WGYBDXNSSA-N. The full InChI is InChI=1S/C63H103N5O39S.C52H86N4O31S.2C11H16N2O3/c1-23-27(76)15-62(60(92)93,105-49(23)41(83)29(78)17-69)97-22-34-45(87)52(40(67-26(4)75)57(101-34)104-53-44(86)32(20-72)99-58(47(53)89)96-12-10-65-37(81)9-13-108-35-14-38(82)68(55(35)91)11-7-6-8-36(80)64-5)103-59-48(90)54(107-63(61(94)95)16-28(77)24(2)50(106-63)42(84)30(79)18-70)51(33(21-73)100-59)102-56-39(66-25(3)74)46(88)43(85)31(19-71)98-56;1-20-23(63)14-52(51(76)77,86-41(20)35(69)24(64)15-57)87-45-40(74)50(82-28(19-61)42(45)83-47-21(2)34(68)36(70)25(16-58)79-47)84-43-33(55-22(3)62)48(80-26(17-59)37(43)71)85-44-38(72)27(18-60)81-49(39(44)73)78-11-9-54-31(66)8-12-88-29-13-32(67)56(46(29)75)10-6-5-7-30(65)53-4;2*1-12-9(14)5-3-2-4-8-13-10(15)6-7-11(13)16/h23-24,27-35,39-54,56-59,69-73,76-79,83-90H,6-22H2,1-5H3,(H,64,80)(H,65,81)(H,66,74)(H,67,75)(H,92,93)(H,94,95);20-21,23-29,33-45,47-50,57-61,63-64,68-74H,5-19H2,1-4H3,(H,53,65)(H,54,66)(H,55,62)(H,76,77);2*6-7H,2-5,8H2,1H3,(H,12,14)/t23-,24+,27-,28+,29-,30-,31?,32?,33?,34?,35?,39+,40+,41-,42-,43+,44+,45-,46?,47+,48+,49?,50?,51+,52?,53?,54?,56+,57+,58-,59+,62-,63-;20-,21-,23-,24+,25?,26?,27?,28?,29?,33-,34?,35+,36-,37+,38-,39-,40-,41?,42-,43?,44?,45?,47-,48-,49+,50-,52+;;/m10../s1.
What are the key properties of (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide)?
(2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide) has a molecular weight of 3330.42 g/mol, XLogP of -21.82, 79 rotatable bonds, 43 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-[[(3S,5S,6S)-5-acetamido-4-[(2R,3S,5S)-5-[(2S,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,4S,5S)-2-carboxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4S,5S)-2-[(2R,3S,5S)-2-[(2S,3S,5S)-3-acetamido-2-[(3S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[2-[3-[1-[5-(methylamino)-5-oxopentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;bis(6-(2,5-dioxopyrrol-1-yl)-N-methylhexanamide) is sourced from PubChem (CID 159756427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).