(2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C125H188N18O43S2 — CID 174247315

About (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 174247315) has the molecular formula C125H188N18O43S2 and a molecular weight of 2695.10 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 174247315
• Molecular Formula: C125H188N18O43S2
• Molecular Weight: 2695.10 g/mol
• Exact Mass: 2693.25
• IUPAC Name: (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NC(Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CCC(=O)NCCOCCOCCOCCN(N)/C=C(\N)COCCN(CCOCc3cn(CCOCCOCCOCCNC(=O)CCc4cc5c(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)ccc(COC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C)c5s4)nn3)C(=O)COCCOCCN3C(=O)C=CC3=O)sc12)C(C)C
• InChI: InChI=1S/C125H188N18O43S2/c1-18-76(10)102(91(169-16)64-96(148)142-38-22-25-88(142)109(170-17)77(11)114(156)131-87(119(161)162)61-78-23-20-19-21-24-78)136(13)118(160)99(73(4)5)133-117(159)101(75(8)9)138(15)125(168)182-68-80-27-31-90(184-123-108(155)104(151)106(153)111(186-123)121(165)166)86-63-84(188-113(80)86)29-33-92(144)129-36-44-171-51-55-176-57-53-173-48-41-140(127)65-81(126)69-178-46-39-139(97(149)71-180-60-59-175-50-43-143-94(146)34-35-95(143)147)40-47-179-70-82-66-141(135-134-82)42-49-174-54-58-177-56-52-172-45-37-130-93(145)32-28-83-62-85-89(183-122-107(154)103(150)105(152)110(185-122)120(163)164)30-26-79(112(85)187-83)67-181-124(167)137(14)100(74(6)7)116(158)132-98(72(2)3)115(157)128-12/h19-21,23-24,26-27,30-31,34-35,62-63,65-66,72-77,87-88,91,98-111,122-123,150-155H,18,22,25,28-29,32-33,36-61,64,67-71,126-127H2,1-17H3,(H,128,157)(H,129,144)(H,130,145)(H,131,156)(H,132,158)(H,133,159)(H,161,162)(H,163,164)(H,165,166)/b81-65-/t76?,77-,87?,88+,91-,98+,99+,100+,101+,102+,103+,104+,105+,106+,107-,108-,109-,110+,111+,122-,123-/m1/s1
• InChIKey: LIPOPCKVEYKGPN-YYBABFEYSA-N
• XLogP: 1.09
• TPSA: 798.94 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 48
• Rotatable Bonds: 86
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2695.10
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 174247315) is (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NC(Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CCC(=O)NCCOCCOCCOCCN(N)/C=C(\N)COCCN(CCOCc3cn(CCOCCOCCOCCNC(=O)CCc4cc5c(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)ccc(COC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C)c5s4)nn3)C(=O)COCCOCCN3C(=O)C=CC3=O)sc12)C(C)C.

What is the InChIKey of (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is LIPOPCKVEYKGPN-YYBABFEYSA-N. The full InChI is InChI=1S/C125H188N18O43S2/c1-18-76(10)102(91(169-16)64-96(148)142-38-22-25-88(142)109(170-17)77(11)114(156)131-87(119(161)162)61-78-23-20-19-21-24-78)136(13)118(160)99(73(4)5)133-117(159)101(75(8)9)138(15)125(168)182-68-80-27-31-90(184-123-108(155)104(151)106(153)111(186-123)121(165)166)86-63-84(188-113(80)86)29-33-92(144)129-36-44-171-51-55-176-57-53-173-48-41-140(127)65-81(126)69-178-46-39-139(97(149)71-180-60-59-175-50-43-143-94(146)34-35-95(143)147)40-47-179-70-82-66-141(135-134-82)42-49-174-54-58-177-56-52-172-45-37-130-93(145)32-28-83-62-85-89(183-122-107(154)103(150)105(152)110(185-122)120(163)164)30-26-79(112(85)187-83)67-181-124(167)137(14)100(74(6)7)116(158)132-98(72(2)3)115(157)128-12/h19-21,23-24,26-27,30-31,34-35,62-63,65-66,72-77,87-88,91,98-111,122-123,150-155H,18,22,25,28-29,32-33,36-61,64,67-71,126-127H2,1-17H3,(H,128,157)(H,129,144)(H,130,145)(H,131,156)(H,132,158)(H,133,159)(H,161,162)(H,163,164)(H,165,166)/b81-65-/t76?,77-,87?,88+,91-,98+,99+,100+,101+,102+,103+,104+,105+,106+,107-,108-,109-,110+,111+,122-,123-/m1/s1.

What are the key properties of (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 2695.10 g/mol, XLogP of 1.09, 86 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6S)-6-[[2-[3-[2-[2-[2-[2-[4-[2-[2-[(Z)-2-amino-3-[amino-[2-[2-[2-[2-[3-[7-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[(1-carboxy-2-phenylethyl)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]-4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-1-benzothiophen-2-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-enoxy]ethyl-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-[[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]oxymethyl]-1-benzothiophen-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 174247315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).