(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

C138H233N31O39S — CID 169293146

About (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 169293146) has the molecular formula C138H233N31O39S and a molecular weight of 2982.63 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
• PubChem CID: 169293146
• Molecular Formula: C138H233N31O39S
• Molecular Weight: 2982.63 g/mol
• Exact Mass: 2980.69
• IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
• SMILES: CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(NC(=O)[C@H](CC2CCC(O)CC2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCC(O)CC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)C(=O)N[C@@H](CC2CNCN2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(=O)O)C(=O)N[C@@H](CC2CNCN2)C(=O)N1
• InChI: InChI=1S/C138H233N31O39S/c1-78(2)63-95(156-120(188)91(41-46-108(141)173)150-111(176)50-55-205-57-59-207-61-62-208-60-58-206-56-54-146-110(175)31-22-21-30-106-116-105(75-209-106)166-136(204)167-116)124(192)154-92(42-47-109(142)174)122(190)159-99(67-83-32-36-87(170)37-33-83)128(196)160-98(66-82-27-19-18-20-28-82)127(195)158-97(65-80(5)6)126(194)163-103(71-114(181)182)130(198)152-89(29-23-26-53-139)119(187)161-100(68-84-34-38-88(171)39-35-84)132(200)168-138(9)52-25-17-15-13-11-12-14-16-24-51-137(8,134(202)149-81(7)117(185)151-90(118(186)143-10)40-45-107(140)172)169-133(201)102(70-86-74-145-77-148-86)162-131(199)104(72-115(183)184)164-125(193)96(64-79(3)4)157-123(191)94(44-49-113(179)180)153-121(189)93(43-48-112(177)178)155-129(197)101(165-135(138)203)69-85-73-144-76-147-85/h13,15,78-106,116,144-145,147-148,170-171H,11-12,14,16-77,139H2,1-10H3,(H2,140,172)(H2,141,173)(H2,142,174)(H,143,186)(H,146,175)(H,149,202)(H,150,176)(H,151,185)(H,152,198)(H,153,189)(H,154,192)(H,155,197)(H,156,188)(H,157,191)(H,158,195)(H,159,190)(H,160,196)(H,161,187)(H,162,199)(H,163,194)(H,164,193)(H,165,203)(H,168,200)(H,169,201)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H2,166,167,204)/b15-13-/t81-,83?,84?,85?,86?,87?,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104?,105+,106+,116+,137-,138+/m0/s1
• InChIKey: QNBCPRGYZKHCCR-XLYURSLASA-N
• XLogP: -4.46
• TPSA: 1082.22 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 41
• Rotatable Bonds: 83
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2982.63
LogP ≤ 5	-4.46
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid?

The IUPAC name of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid (CID 169293146) is (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid.

What is the SMILES notation for (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid?

The canonical SMILES for (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid is CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(NC(=O)[C@H](CC2CCC(O)CC2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCC(O)CC2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)C(=O)N[C@@H](CC2CNCN2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(=O)O)C(=O)N[C@@H](CC2CNCN2)C(=O)N1.

What is the InChIKey of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid?

The InChIKey is QNBCPRGYZKHCCR-XLYURSLASA-N. The full InChI is InChI=1S/C138H233N31O39S/c1-78(2)63-95(156-120(188)91(41-46-108(141)173)150-111(176)50-55-205-57-59-207-61-62-208-60-58-206-56-54-146-110(175)31-22-21-30-106-116-105(75-209-106)166-136(204)167-116)124(192)154-92(42-47-109(142)174)122(190)159-99(67-83-32-36-87(170)37-33-83)128(196)160-98(66-82-27-19-18-20-28-82)127(195)158-97(65-80(5)6)126(194)163-103(71-114(181)182)130(198)152-89(29-23-26-53-139)119(187)161-100(68-84-34-38-88(171)39-35-84)132(200)168-138(9)52-25-17-15-13-11-12-14-16-24-51-137(8,134(202)149-81(7)117(185)151-90(118(186)143-10)40-45-107(140)172)169-133(201)102(70-86-74-145-77-148-86)162-131(199)104(72-115(183)184)164-125(193)96(64-79(3)4)157-123(191)94(44-49-113(179)180)153-121(189)93(43-48-112(177)178)155-129(197)101(165-135(138)203)69-85-73-144-76-147-85/h13,15,78-106,116,144-145,147-148,170-171H,11-12,14,16-77,139H2,1-10H3,(H2,140,172)(H2,141,173)(H2,142,174)(H,143,186)(H,146,175)(H,149,202)(H,150,176)(H,151,185)(H,152,198)(H,153,189)(H,154,192)(H,155,197)(H,156,188)(H,157,191)(H,158,195)(H,159,190)(H,160,196)(H,161,187)(H,162,199)(H,163,194)(H,164,193)(H,165,203)(H,168,200)(H,169,201)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H2,166,167,204)/b15-13-/t81-,83?,84?,85?,86?,87?,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104?,105+,106+,116+,137-,138+/m0/s1.

What are the key properties of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid?

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 2982.63 g/mol, XLogP of -4.46, 83 rotatable bonds, 37 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-hydroxycyclohexyl)propanoyl]amino]-3-cyclohexylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21R,25Z,33S)-33-[[(2S)-1-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-12,15-bis(2-carboxyethyl)-6-(carboxymethyl)-3,18-bis(imidazolidin-4-ylmethyl)-21,33-dimethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-25-en-21-yl]amino]-3-(4-hydroxycyclohexyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 169293146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).