(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride

C136H237Cl2N37O57S3 — CID 157422568

About (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride

(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride (PubChem CID 157422568) has the molecular formula C136H237Cl2N37O57S3 and a molecular weight of 3469.70 g/mol. Its IUPAC name is (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride.

Molecular Properties

• Compound Name: (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
• PubChem CID: 157422568
• Molecular Formula: C136H237Cl2N37O57S3
• Molecular Weight: 3469.70 g/mol
• Exact Mass: 3466.53
• IUPAC Name: (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
• SMILES: CC(=O)N[C@H]1[C@H](OCCOCCn2cc(CN(CCCC[C@@H](C(=O)NCCS)N(Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O.CC(=O)N[C@H]1[C@H](OCCOCCn2cc(CN(CCCC[C@@H](C(=O)O)N(Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O.Cl.Cl.NCCSSCCN
• InChI: InChI=1S/C67H114N18O28S.C65H109N17O29.C4H12N2S2.2ClH/c1-39-55(93)56(94)48(35-86)110-64(39)106-22-18-102-16-12-84-33-45(74-78-84)29-81(30-46-34-85(79-75-46)13-17-105-21-25-109-67-54(71-42(4)92)62(100)59(97)51(38-89)113-67)47(63(101)68-8-26-114)7-5-6-9-80(27-43-31-82(76-72-43)10-14-103-19-23-107-65-52(69-40(2)90)60(98)57(95)49(36-87)111-65)28-44-32-83(77-73-44)11-15-104-20-24-108-66-53(70-41(3)91)61(99)58(96)50(37-88)112-66;1-37-53(90)54(91)46(33-83)108-62(37)104-21-17-100-15-11-81-31-43(71-75-81)27-78(28-44-32-82(76-72-44)12-16-103-20-24-107-65-52(68-40(4)89)60(97)57(94)49(36-86)111-65)45(61(98)99)7-5-6-8-77(25-41-29-79(73-69-41)9-13-101-18-22-105-63-50(66-38(2)87)58(95)55(92)47(34-84)109-63)26-42-30-80(74-70-42)10-14-102-19-23-106-64-51(67-39(3)88)59(96)56(93)48(35-85)110-64;5-1-3-7-8-4-2-6;;/h31-34,39,47-62,64-67,86-89,93-100,114H,5-30,35-38H2,1-4H3,(H,68,101)(H,69,90)(H,70,91)(H,71,92);29-32,37,45-60,62-65,83-86,90-97H,5-28,33-36H2,1-4H3,(H,66,87)(H,67,88)(H,68,89)(H,98,99);1-6H2;2*1H/t39-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60-,61-,62-,64-,65-,66-,67-;37-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59-,60-,62-,63-,64-,65-;;;/m11.../s1
• InChIKey: GIYSDKFKDNMHCU-CZEGIFFUSA-N
• XLogP: -18.07
• TPSA: 1258.72 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 89
• Rotatable Bonds: 107
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3469.70
LogP ≤ 5	-18.07
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	89

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride?

The IUPAC name of (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride (CID 157422568) is (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride.

What is the SMILES notation for (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride?

The canonical SMILES for (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride is CC(=O)N[C@H]1[C@H](OCCOCCn2cc(CN(CCCC[C@@H](C(=O)NCCS)N(Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O.CC(=O)N[C@H]1[C@H](OCCOCCn2cc(CN(CCCC[C@@H](C(=O)O)N(Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4C)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)Cc3cn(CCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)nn3)nn2)O[C@H](CO)[C@H](O)[C@@H]1O.Cl.Cl.NCCSSCCN.

What is the InChIKey of (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride?

The InChIKey is GIYSDKFKDNMHCU-CZEGIFFUSA-N. The full InChI is InChI=1S/C67H114N18O28S.C65H109N17O29.C4H12N2S2.2ClH/c1-39-55(93)56(94)48(35-86)110-64(39)106-22-18-102-16-12-84-33-45(74-78-84)29-81(30-46-34-85(79-75-46)13-17-105-21-25-109-67-54(71-42(4)92)62(100)59(97)51(38-89)113-67)47(63(101)68-8-26-114)7-5-6-9-80(27-43-31-82(76-72-43)10-14-103-19-23-107-65-52(69-40(2)90)60(98)57(95)49(36-87)111-65)28-44-32-83(77-73-44)11-15-104-20-24-108-66-53(70-41(3)91)61(99)58(96)50(37-88)112-66;1-37-53(90)54(91)46(33-83)108-62(37)104-21-17-100-15-11-81-31-43(71-75-81)27-78(28-44-32-82(76-72-44)12-16-103-20-24-107-65-52(68-40(4)89)60(97)57(94)49(36-86)111-65)45(61(98)99)7-5-6-8-77(25-41-29-79(73-69-41)9-13-101-18-22-105-63-50(66-38(2)87)58(95)55(92)47(34-84)109-63)26-42-30-80(74-70-42)10-14-102-19-23-106-64-51(67-39(3)88)59(96)56(93)48(35-85)110-64;5-1-3-7-8-4-2-6;;/h31-34,39,47-62,64-67,86-89,93-100,114H,5-30,35-38H2,1-4H3,(H,68,101)(H,69,90)(H,70,91)(H,71,92);29-32,37,45-60,62-65,83-86,90-97H,5-28,33-36H2,1-4H3,(H,66,87)(H,67,88)(H,68,89)(H,98,99);1-6H2;2*1H/t39-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60-,61-,62-,64-,65-,66-,67-;37-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59-,60-,62-,63-,64-,65-;;;/m11.../s1.

What are the key properties of (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride?

(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride has a molecular weight of 3469.70 g/mol, XLogP of -18.07, 107 rotatable bonds, 35 hydrogen bond donors, and 89 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2S)-2-[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[1-[2-[2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-(2-sulfanylethyl)hexanamide;2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride is sourced from PubChem (CID 157422568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).