[(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C183H312N12O73 — CID 161376202

IUPAC[(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCCC(C)[C@@H]([C@H](O)CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)N(C)C(=O)[C@H](C)CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCONC(=O)OC(C)(C)C)ccc1O[C@@H]1OC(C)[C@@H](C)[C@H](C)C1OC(C)=O.CC[C@H](C)[C@@H]([C@H](O)CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)N(C)C(=O)[C@H](C)CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCON)ccc1O[C@@H]1OC(OC=O)[C@@H](O)[C@H](O)C1O.COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O.O=C=O.OCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C78H128N6O25.C69H112N6O26.C19H38O11.C16H34O9.CO2/c1-18-51(4)69(64(87)47-67(89)84-28-22-25-62(84)71(95-17)55(8)73(91)79-56(9)70(90)59-23-20-19-21-24-59)82(15)74(92)52(5)45-63(86)68(50(2)3)83(16)77(94)104-48-60-46-61(26-27-65(60)108-75-72(107-58(11)85)54(7)53(6)57(10)106-75)80-66(88)49-103-42-41-101-38-37-99-34-33-97-30-29-96-31-32-98-35-36-100-39-40-102-43-44-105-81-76(93)109-78(12,13)14;1-11-45(4)59(54(78)40-57(80)75-21-15-18-52(75)64(88-10)47(6)65(85)71-48(7)60(81)49-16-13-12-14-17-49)73(8)66(86)46(5)38-53(77)58(44(2)3)74(9)69(87)97-41-50-39-51(19-20-55(50)100-68-63(84)61(82)62(83)67(101-68)98-43-76)72-56(79)42-96-35-34-94-31-30-92-27-26-90-23-22-89-24-25-91-28-29-93-32-33-95-36-37-99-70;1-22-2-3-23-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19(20)21;17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18;2-1-3/h19-21,23-24,26-27,46,50-57,62,64,68-72,75,87,90H,18,22,25,28-45,47-49H2,1-17H3,(H,79,91)(H,80,88)(H,81,93);12-14,16-17,19-20,39,43-48,52,54,58-64,67-68,78,81-84H,11,15,18,21-38,40-42,70H2,1-10H3,(H,71,85)(H,72,79);2-18H2,1H3,(H,20,21);17-18H,1-16H2;/t51?,52-,53+,54+,55-,56-,57?,62+,64-,68+,69+,70-,71-,72?,75+;45-,46+,47+,48+,52-,54+,58-,59-,60+,61-,62-,63?,64+,67?,68+;;;/m10.../s1
InChIKeyVRCOLIAJRPLFLU-RCWQUITJSA-N
MW3848.52 g/mol
LogP7.25
Rot. Bonds152

About [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

[(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 161376202) has the molecular formula C183H312N12O73 and a molecular weight of 3848.52 g/mol. Its IUPAC name is [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name[(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID161376202
Molecular FormulaC183H312N12O73
Molecular Weight3848.52 g/mol
Exact Mass3846.11
IUPAC Name[(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCCC(C)[C@@H]([C@H](O)CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)N(C)C(=O)[C@H](C)CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCONC(=O)OC(C)(C)C)ccc1O[C@@H]1OC(C)[C@@H](C)[C@H](C)C1OC(C)=O.CC[C@H](C)[C@@H]([C@H](O)CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)N(C)C(=O)[C@H](C)CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCON)ccc1O[C@@H]1OC(OC=O)[C@@H](O)[C@H](O)C1O.COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O.O=C=O.OCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C78H128N6O25.C69H112N6O26.C19H38O11.C16H34O9.CO2/c1-18-51(4)69(64(87)47-67(89)84-28-22-25-62(84)71(95-17)55(8)73(91)79-56(9)70(90)59-23-20-19-21-24-59)82(15)74(92)52(5)45-63(86)68(50(2)3)83(16)77(94)104-48-60-46-61(26-27-65(60)108-75-72(107-58(11)85)54(7)53(6)57(10)106-75)80-66(88)49-103-42-41-101-38-37-99-34-33-97-30-29-96-31-32-98-35-36-100-39-40-102-43-44-105-81-76(93)109-78(12,13)14;1-11-45(4)59(54(78)40-57(80)75-21-15-18-52(75)64(88-10)47(6)65(85)71-48(7)60(81)49-16-13-12-14-17-49)73(8)66(86)46(5)38-53(77)58(44(2)3)74(9)69(87)97-41-50-39-51(19-20-55(50)100-68-63(84)61(82)62(83)67(101-68)98-43-76)72-56(79)42-96-35-34-94-31-30-92-27-26-90-23-22-89-24-25-91-28-29-93-32-33-95-36-37-99-70;1-22-2-3-23-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19(20)21;17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18;2-1-3/h19-21,23-24,26-27,46,50-57,62,64,68-72,75,87,90H,18,22,25,28-45,47-49H2,1-17H3,(H,79,91)(H,80,88)(H,81,93);12-14,16-17,19-20,39,43-48,52,54,58-64,67-68,78,81-84H,11,15,18,21-38,40-42,70H2,1-10H3,(H,71,85)(H,72,79);2-18H2,1H3,(H,20,21);17-18H,1-16H2;/t51?,52-,53+,54+,55-,56-,57?,62+,64-,68+,69+,70-,71-,72?,75+;45-,46+,47+,48+,52-,54+,58-,59-,60+,61-,62-,63?,64+,67?,68+;;;/m10.../s1
InChIKeyVRCOLIAJRPLFLU-RCWQUITJSA-N
XLogP7.25
TPSA1030.52 Ų
H-Bond Donors16
H-Bond Acceptors73
Rotatable Bonds152
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003848.52
LogP ≤ 57.25
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1073

Analyze [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

bis(carbon dioxide);[2-[2-(hydroxymethyl)-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;[2-[2-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;methane
CID 157420648
[6-[4-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate
CID 157477160
(3S,4S,6S)-6-[4-[[(3S)-3-[[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-4-[4-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-4-oxobutanoyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 140872141
(3S,4S,6S)-6-[4-[[2-[[2-[(2-aminooxyacetyl)amino]acetyl]amino]acetyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 140872137
6-[4-[[2-[2-[(2-aminooxyacetyl)amino]ethyl-methylsulfonylamino]acetyl]amino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 134509496
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]-3-prop-2-ynoxyphenoxy]oxane-2-carboxylic acid
CID 157088475
(3S,4S,6S)-6-[4-[3-[2-[2-[2-[2-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 140872144
[2-(aminomethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-7-yl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 174246376
[2-[4-[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxybut-3-ynyl]-2-nitrophenoxy]-4,5,6-trimethyloxan-3-yl] acetate
CID 157344548
(4-acetamidophenyl)methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 159138369
tert-butyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 164586546
(2S,3S,4S,5R,6S)-6-[2-(3-aminopropanoylamino)-4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 122639636

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 161376202) is [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is CCC(C)[C@@H]([C@H](O)CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)N(C)C(=O)[C@H](C)CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCONC(=O)OC(C)(C)C)ccc1O[C@@H]1OC(C)[C@@H](C)[C@H](C)C1OC(C)=O.CC[C@H](C)[C@@H]([C@H](O)CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)N(C)C(=O)[C@H](C)CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1cc(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCON)ccc1O[C@@H]1OC(OC=O)[C@@H](O)[C@H](O)C1O.COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O.O=C=O.OCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is VRCOLIAJRPLFLU-RCWQUITJSA-N. The full InChI is InChI=1S/C78H128N6O25.C69H112N6O26.C19H38O11.C16H34O9.CO2/c1-18-51(4)69(64(87)47-67(89)84-28-22-25-62(84)71(95-17)55(8)73(91)79-56(9)70(90)59-23-20-19-21-24-59)82(15)74(92)52(5)45-63(86)68(50(2)3)83(16)77(94)104-48-60-46-61(26-27-65(60)108-75-72(107-58(11)85)54(7)53(6)57(10)106-75)80-66(88)49-103-42-41-101-38-37-99-34-33-97-30-29-96-31-32-98-35-36-100-39-40-102-43-44-105-81-76(93)109-78(12,13)14;1-11-45(4)59(54(78)40-57(80)75-21-15-18-52(75)64(88-10)47(6)65(85)71-48(7)60(81)49-16-13-12-14-17-49)73(8)66(86)46(5)38-53(77)58(44(2)3)74(9)69(87)97-41-50-39-51(19-20-55(50)100-68-63(84)61(82)62(83)67(101-68)98-43-76)72-56(79)42-96-35-34-94-31-30-92-27-26-90-23-22-89-24-25-91-28-29-93-32-33-95-36-37-99-70;1-22-2-3-23-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19(20)21;17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18;2-1-3/h19-21,23-24,26-27,46,50-57,62,64,68-72,75,87,90H,18,22,25,28-45,47-49H2,1-17H3,(H,79,91)(H,80,88)(H,81,93);12-14,16-17,19-20,39,43-48,52,54,58-64,67-68,78,81-84H,11,15,18,21-38,40-42,70H2,1-10H3,(H,71,85)(H,72,79);2-18H2,1H3,(H,20,21);17-18H,1-16H2;/t51?,52-,53+,54+,55-,56-,57?,62+,64-,68+,69+,70-,71-,72?,75+;45-,46+,47+,48+,52-,54+,58-,59-,60+,61-,62-,63?,64+,67?,68+;;;/m10.../s1.
What are the key properties of [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
[(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 3848.52 g/mol, XLogP of 7.25, 152 rotatable bonds, 16 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,6R)-6-[4-[[2-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl] formate;carbon dioxide;2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;[(2S,4S,5S)-2-[2-[[[(3S,6R)-7-[[(3R,4S,5S)-3-hydroxy-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-methylcarbamoyl]oxymethyl]-4-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]phenoxy]-4,5,6-trimethyloxan-3-yl] acetate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 161376202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).