4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid

C145H230N52O35S — CID 58851082

About 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid

4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 58851082) has the molecular formula C145H230N52O35S and a molecular weight of 3293.83 g/mol. Its IUPAC name is 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
• PubChem CID: 58851082
• Molecular Formula: C145H230N52O35S
• Molecular Weight: 3293.83 g/mol
• Exact Mass: 3291.75
• IUPAC Name: 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid
• SMILES: [H]/N=C(\N)NCCCC(NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)NCCCC[C@@H](NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O
• InChI: InChI=1S/C145H230N52O35S/c1-75(2)112(193-131(226)102(73-111(207)208)188-128(223)99(70-81-44-52-85(201)53-45-81)189-133(228)105-34-21-65-196(105)135(230)86(146)67-78-38-46-82(198)47-39-78)136(231)197-66-22-35-106(197)134(229)191-101(72-110(205)206)130(225)187-98(69-80-42-50-84(200)51-43-80)127(222)175-77(4)116(211)179-92(28-15-59-169-140(154)155)122(217)184-96(32-19-63-173-144(162)163)125(220)185-94(30-17-61-171-142(158)159)123(218)180-88(117(212)164-54-10-8-23-87(114(147)209)177-120(215)93(29-16-60-170-141(156)157)182-119(214)90(26-13-57-167-138(150)151)176-108(202)37-7-6-36-107-113-103(74-233-107)192-145(232)194-113)24-9-11-55-165-118(213)89(25-12-56-166-137(148)149)181-124(219)95(31-18-62-172-143(160)161)183-121(216)91(27-14-58-168-139(152)153)178-115(210)76(3)174-126(221)97(68-79-40-48-83(199)49-41-79)186-129(224)100(71-109(203)204)190-132(227)104-33-20-64-195(104)5/h38-53,75-77,86-107,112-113,198-201H,6-37,54-74,146H2,1-5H3,(H2,147,209)(H,164,212)(H,165,213)(H,174,221)(H,175,222)(H,176,202)(H,177,215)(H,178,210)(H,179,211)(H,180,218)(H,181,219)(H,182,214)(H,183,216)(H,184,217)(H,185,220)(H,186,224)(H,187,225)(H,188,223)(H,189,228)(H,190,227)(H,191,229)(H,193,226)(H,203,204)(H,205,206)(H,207,208)(H4,148,149,166)(H4,150,151,167)(H4,152,153,168)(H4,154,155,169)(H4,156,157,170)(H4,158,159,171)(H4,160,161,172)(H4,162,163,173)(H2,192,194,232)/t76?,77?,86?,87-,88+,89?,90-,91?,92?,93-,94?,95?,96?,97?,98?,99?,100?,101?,102?,103-,104?,105?,106?,107-,112?,113-/m0/s1
• InChIKey: YLMLTKBHFRIJJR-PVFLIJCJSA-N
• XLogP: -12.60
• TPSA: 1453.22 Ų
• H-Bond Donors: 56
• H-Bond Acceptors: 43
• Rotatable Bonds: 104
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3293.83
LogP ≤ 5	-12.60
H-Bond Donors ≤ 5	56
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'biotin_analogue', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid?

The IUPAC name of 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid (CID 58851082) is 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid.

What is the SMILES notation for 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid?

The canonical SMILES for 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid is [H]/N=C(\N)NCCCC(NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C)C(=O)NC(CCCN/C(N)=N/[H])C(=O)NC(CCCN/C(N)=N/[H])C(=O)NCCCC[C@@H](NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O.

What is the InChIKey of 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid?

The InChIKey is YLMLTKBHFRIJJR-PVFLIJCJSA-N. The full InChI is InChI=1S/C145H230N52O35S/c1-75(2)112(193-131(226)102(73-111(207)208)188-128(223)99(70-81-44-52-85(201)53-45-81)189-133(228)105-34-21-65-196(105)135(230)86(146)67-78-38-46-82(198)47-39-78)136(231)197-66-22-35-106(197)134(229)191-101(72-110(205)206)130(225)187-98(69-80-42-50-84(200)51-43-80)127(222)175-77(4)116(211)179-92(28-15-59-169-140(154)155)122(217)184-96(32-19-63-173-144(162)163)125(220)185-94(30-17-61-171-142(158)159)123(218)180-88(117(212)164-54-10-8-23-87(114(147)209)177-120(215)93(29-16-60-170-141(156)157)182-119(214)90(26-13-57-167-138(150)151)176-108(202)37-7-6-36-107-113-103(74-233-107)192-145(232)194-113)24-9-11-55-165-118(213)89(25-12-56-166-137(148)149)181-124(219)95(31-18-62-172-143(160)161)183-121(216)91(27-14-58-168-139(152)153)178-115(210)76(3)174-126(221)97(68-79-40-48-83(199)49-41-79)186-129(224)100(71-109(203)204)190-132(227)104-33-20-64-195(104)5/h38-53,75-77,86-107,112-113,198-201H,6-37,54-74,146H2,1-5H3,(H2,147,209)(H,164,212)(H,165,213)(H,174,221)(H,175,222)(H,176,202)(H,177,215)(H,178,210)(H,179,211)(H,180,218)(H,181,219)(H,182,214)(H,183,216)(H,184,217)(H,185,220)(H,186,224)(H,187,225)(H,188,223)(H,189,228)(H,190,227)(H,191,229)(H,193,226)(H,203,204)(H,205,206)(H,207,208)(H4,148,149,166)(H4,150,151,167)(H4,152,153,168)(H4,154,155,169)(H4,156,157,170)(H4,158,159,171)(H4,160,161,172)(H4,162,163,173)(H2,192,194,232)/t76?,77?,86?,87-,88+,89?,90-,91?,92?,93-,94?,95?,96?,97?,98?,99?,100?,101?,102?,103-,104?,105?,106?,107-,112?,113-/m0/s1.

What are the key properties of 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid?

4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 3293.83 g/mol, XLogP of -12.60, 104 rotatable bonds, 56 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[[1-[[1-[[1-[[1-[[(5R)-6-[[(5S)-5-[[(2S)-2-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-amino-6-oxohexyl]amino]-5-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 58851082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).