18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane

C125H185FN28O35S — CID 165105568

About 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane

18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane (PubChem CID 165105568) has the molecular formula C125H185FN28O35S and a molecular weight of 2691.08 g/mol. Its IUPAC name is 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane.

Molecular Properties

• Compound Name: 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane
• PubChem CID: 165105568
• Molecular Formula: C125H185FN28O35S
• Molecular Weight: 2691.08 g/mol
• Exact Mass: 2689.33
• IUPAC Name: 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane
• SMILES: CCc1cc(OCCCCn2cc(CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)nn2)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CCC(=O)[C@H](Cc2nnn[nH]2)NC(=O)C(C)(C)C(=O)NCCc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2cc(C)cc(C)c2)C(N)=O)cc1.S
• InChI: InChI=1S/C125H183FN28O35.H2S/c1-9-83-61-88(189-50-27-26-49-154-71-87(148-153-154)66-136-114(174)96(72-155)139-106(166)70-134-104(164)68-132-103(163)67-133-105(165)69-135-108(168)75-188-56-54-186-52-48-130-107(167)74-187-55-53-185-51-47-129-100(160)43-41-92(120(180)181)138-101(161)33-22-20-18-16-14-12-10-11-13-15-17-19-21-23-34-109(169)170)39-40-89(83)84-37-35-81(36-38-84)60-94(115(175)140-91(113(127)173)32-28-29-82-58-77(2)57-78(3)59-82)141-116(176)95(63-110(171)172)142-117(177)97(73-156)143-118(178)111(79(4)157)146-123(184)125(8,64-85-30-24-25-31-90(85)126)147-119(179)112(80(5)158)145-102(162)44-42-98(159)93(62-99-149-151-152-150-99)144-122(183)124(6,7)121(182)131-46-45-86-65-128-76-137-86;/h24-25,30-31,35-40,57-59,61,65,71,76,79-80,91-97,111-112,155-158H,9-23,26-29,32-34,41-56,60,62-64,66-70,72-75H2,1-8H3,(H2,127,173)(H,128,137)(H,129,160)(H,130,167)(H,131,182)(H,132,163)(H,133,165)(H,134,164)(H,135,168)(H,136,174)(H,138,161)(H,139,166)(H,140,175)(H,141,176)(H,142,177)(H,143,178)(H,144,183)(H,145,162)(H,146,184)(H,147,179)(H,169,170)(H,171,172)(H,180,181)(H,149,150,151,152);1H2/t79-,80-,91+,92+,93+,94+,95+,96+,97+,111+,112+,125+;/m1./s1
• InChIKey: ZBHGRXSLBLIXGX-XLMIVNNYSA-N
• XLogP: -2.23
• TPSA: 936.78 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 39
• Rotatable Bonds: 98
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2691.08
LogP ≤ 5	-2.23
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane?

The IUPAC name of 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane (CID 165105568) is 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane.

What is the SMILES notation for 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane?

The canonical SMILES for 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane is CCc1cc(OCCCCn2cc(CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)nn2)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CCC(=O)[C@H](Cc2nnn[nH]2)NC(=O)C(C)(C)C(=O)NCCc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCc2cc(C)cc(C)c2)C(N)=O)cc1.S.

What is the InChIKey of 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane?

The InChIKey is ZBHGRXSLBLIXGX-XLMIVNNYSA-N. The full InChI is InChI=1S/C125H183FN28O35.H2S/c1-9-83-61-88(189-50-27-26-49-154-71-87(148-153-154)66-136-114(174)96(72-155)139-106(166)70-134-104(164)68-132-103(163)67-133-105(165)69-135-108(168)75-188-56-54-186-52-48-130-107(167)74-187-55-53-185-51-47-129-100(160)43-41-92(120(180)181)138-101(161)33-22-20-18-16-14-12-10-11-13-15-17-19-21-23-34-109(169)170)39-40-89(83)84-37-35-81(36-38-84)60-94(115(175)140-91(113(127)173)32-28-29-82-58-77(2)57-78(3)59-82)141-116(176)95(63-110(171)172)142-117(177)97(73-156)143-118(178)111(79(4)157)146-123(184)125(8,64-85-30-24-25-31-90(85)126)147-119(179)112(80(5)158)145-102(162)44-42-98(159)93(62-99-149-151-152-150-99)144-122(183)124(6,7)121(182)131-46-45-86-65-128-76-137-86;/h24-25,30-31,35-40,57-59,61,65,71,76,79-80,91-97,111-112,155-158H,9-23,26-29,32-34,41-56,60,62-64,66-70,72-75H2,1-8H3,(H2,127,173)(H,128,137)(H,129,160)(H,130,167)(H,131,182)(H,132,163)(H,133,165)(H,134,164)(H,135,168)(H,136,174)(H,138,161)(H,139,166)(H,140,175)(H,141,176)(H,142,177)(H,143,178)(H,144,183)(H,145,162)(H,146,184)(H,147,179)(H,169,170)(H,171,172)(H,180,181)(H,149,150,151,152);1H2/t79-,80-,91+,92+,93+,94+,95+,96+,97+,111+,112+,125+;/m1./s1.

What are the key properties of 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane?

18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane has a molecular weight of 2691.08 g/mol, XLogP of -2.23, 98 rotatable bonds, 28 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[2-[[2-[[2-[[2-[[(2S)-1-[[1-[4-[4-[4-[(2S)-3-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[(5S)-5-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-4-oxo-6-(1H-tetrazol-5-yl)hexanoyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-3-ethylphenoxy]butyl]triazol-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;sulfane is sourced from PubChem (CID 165105568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).