(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride

C150H250ClN39O59S4 — CID 160940096

About (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride

(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride (PubChem CID 160940096) has the molecular formula C150H250ClN39O59S4 and a molecular weight of 3707.58 g/mol. Its IUPAC name is (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride
• PubChem CID: 160940096
• Molecular Formula: C150H250ClN39O59S4
• Molecular Weight: 3707.58 g/mol
• Exact Mass: 3704.63
• IUPAC Name: (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride
• SMILES: C.C.CC(=O)NC1C(OCCOCCc2n[nH]nc2CN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)[C@H](CCCCN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)C(=O)NCCSSc2ccccc2)OC(CO)C(O)C1O.CC(=O)NC1C(OCCOCCc2n[nH]nc2CN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)[C@H](CCCCN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)C(=O)O)OC(CO)C(O)C1O.CC(CN)SSc1ccccn1.Cl
• InChI: InChI=1S/C74H119N19O29S2.C66H110N18O30.C8H12N2S2.2CH4.ClH/c1-43(98)76-58-66(106)62(102)54(39-94)119-71(58)115-27-23-111-19-13-51-52(84-85-83-51)38-90(34-49-37-93(88-82-49)18-22-114-26-30-118-74-61(79-46(4)101)69(109)65(105)57(42-97)122-74)53(70(110)75-14-31-123-124-50-10-6-5-7-11-50)12-8-9-15-89(32-47-35-91(86-80-47)16-20-112-24-28-116-72-59(77-44(2)99)67(107)63(103)55(40-95)120-72)33-48-36-92(87-81-48)17-21-113-25-29-117-73-60(78-45(3)100)68(108)64(104)56(41-96)121-73;1-36(89)67-50-58(97)54(93)46(32-85)111-63(50)107-21-17-103-13-8-43-44(75-76-74-43)31-81(27-42-30-84(79-73-42)12-16-106-20-24-110-66-53(70-39(4)92)61(100)57(96)49(35-88)114-66)45(62(101)102)7-5-6-9-80(25-40-28-82(77-71-40)10-14-104-18-22-108-64-51(68-37(2)90)59(98)55(94)47(33-86)112-64)26-41-29-83(78-72-41)11-15-105-19-23-109-65-52(69-38(3)91)60(99)56(95)48(34-87)113-65;1-7(6-9)11-12-8-4-2-3-5-10-8;;;/h5-7,10-11,35-37,53-69,71-74,94-97,102-109H,8-9,12-34,38-42H2,1-4H3,(H,75,110)(H,76,98)(H,77,99)(H,78,100)(H,79,101)(H,83,84,85);28-30,45-61,63-66,85-88,93-100H,5-27,31-35H2,1-4H3,(H,67,89)(H,68,90)(H,69,91)(H,70,92)(H,101,102)(H,74,75,76);2-5,7H,6,9H2,1H3;2*1H4;1H/t53-,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,71?,72?,73?,74?;45-,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,63?,64?,65?,66?;;;;/m11..../s1
• InChIKey: PLOQLKJVJXEFES-UWBPAZBMSA-N
• XLogP: -14.95
• TPSA: 1325.51 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 90
• Rotatable Bonds: 111
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3707.58
LogP ≤ 5	-14.95
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	90

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride?

The IUPAC name of (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride (CID 160940096) is (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride.

What is the SMILES notation for (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride?

The canonical SMILES for (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride is C.C.CC(=O)NC1C(OCCOCCc2n[nH]nc2CN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)[C@H](CCCCN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)C(=O)NCCSSc2ccccc2)OC(CO)C(O)C1O.CC(=O)NC1C(OCCOCCc2n[nH]nc2CN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)[C@H](CCCCN(Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)Cc2cn(CCOCCOC3OC(CO)C(O)C(O)C3NC(C)=O)nn2)C(=O)O)OC(CO)C(O)C1O.CC(CN)SSc1ccccn1.Cl.

What is the InChIKey of (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride?

The InChIKey is PLOQLKJVJXEFES-UWBPAZBMSA-N. The full InChI is InChI=1S/C74H119N19O29S2.C66H110N18O30.C8H12N2S2.2CH4.ClH/c1-43(98)76-58-66(106)62(102)54(39-94)119-71(58)115-27-23-111-19-13-51-52(84-85-83-51)38-90(34-49-37-93(88-82-49)18-22-114-26-30-118-74-61(79-46(4)101)69(109)65(105)57(42-97)122-74)53(70(110)75-14-31-123-124-50-10-6-5-7-11-50)12-8-9-15-89(32-47-35-91(86-80-47)16-20-112-24-28-116-72-59(77-44(2)99)67(107)63(103)55(40-95)120-72)33-48-36-92(87-81-48)17-21-113-25-29-117-73-60(78-45(3)100)68(108)64(104)56(41-96)121-73;1-36(89)67-50-58(97)54(93)46(32-85)111-63(50)107-21-17-103-13-8-43-44(75-76-74-43)31-81(27-42-30-84(79-73-42)12-16-106-20-24-110-66-53(70-39(4)92)61(100)57(96)49(35-88)114-66)45(62(101)102)7-5-6-9-80(25-40-28-82(77-71-40)10-14-104-18-22-108-64-51(68-37(2)90)59(98)55(94)47(33-86)112-64)26-41-29-83(78-72-41)11-15-105-19-23-109-65-52(69-38(3)91)60(99)56(95)48(34-87)113-65;1-7(6-9)11-12-8-4-2-3-5-10-8;;;/h5-7,10-11,35-37,53-69,71-74,94-97,102-109H,8-9,12-34,38-42H2,1-4H3,(H,75,110)(H,76,98)(H,77,99)(H,78,100)(H,79,101)(H,83,84,85);28-30,45-61,63-66,85-88,93-100H,5-27,31-35H2,1-4H3,(H,67,89)(H,68,90)(H,69,91)(H,70,92)(H,101,102)(H,74,75,76);2-5,7H,6,9H2,1H3;2*1H4;1H/t53-,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,71?,72?,73?,74?;45-,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,63?,64?,65?,66?;;;;/m11..../s1.

What are the key properties of (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride?

(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride has a molecular weight of 3707.58 g/mol, XLogP of -14.95, 111 rotatable bonds, 37 hydrogen bond donors, and 90 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]hexanoic acid;(2R)-2-[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl-[[5-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]-2H-triazol-4-yl]methyl]amino]-6-[bis[[1-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]triazol-4-yl]methyl]amino]-N-[2-(phenyldisulfanyl)ethyl]hexanamide;methane;2-(pyridin-2-yldisulfanyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 160940096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).