(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C125H190N32O36S2 — CID 164952829

About (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 164952829) has the molecular formula C125H190N32O36S2 and a molecular weight of 2781.22 g/mol. Its IUPAC name is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 164952829
• Molecular Formula: C125H190N32O36S2
• Molecular Weight: 2781.22 g/mol
• Exact Mass: 2779.35
• IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](CC(=O)COCCOCCOCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CO)C(=O)C[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)C[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(N)=O)C(C)C)C(C)CC
• InChI: InChI=1S/C125H190N32O36S2/c1-8-68(4)79(58-96(163)90(64-158)151-110(177)72(25-18-42-135-123(130)131)54-77(160)65-193-51-50-192-49-48-191-47-22-27-76(159)26-12-15-34-97-106-91(66-195-97)152-125(190)154-106)113(180)143-81(35-38-98(126)164)94(161)56-73(41-52-194-7)111(178)148-86(55-75-62-137-80-29-14-13-28-78(75)80)95(162)57-74(53-71-23-10-9-11-24-71)112(179)150-89(61-104(172)173)122(189)156-45-20-32-92(156)118(185)140-69(5)109(176)145-83(30-16-17-44-139-155-134)114(181)138-63-101(167)142-88(60-100(128)166)121(188)157-46-21-33-93(157)119(186)149-87(59-99(127)165)117(184)147-84(36-39-102(168)169)115(182)146-85(37-40-103(170)171)116(183)153-105(67(2)3)120(187)141-70(6)108(175)144-82(107(129)174)31-19-43-136-124(132)133/h9-11,13-14,23-24,28-29,62,67-70,72-74,79,81-93,97,105-106,137,158H,8,12,15-22,25-27,30-61,63-66H2,1-7H3,(H2,126,164)(H2,127,165)(H2,128,166)(H2,129,174)(H,138,181)(H,140,185)(H,141,187)(H,142,167)(H,143,180)(H,144,175)(H,145,176)(H,146,182)(H,147,184)(H,148,178)(H,149,186)(H,150,179)(H,151,177)(H,153,183)(H,168,169)(H,170,171)(H,172,173)(H4,130,131,135)(H4,132,133,136)(H2,152,154,190)/t68?,69-,70-,72+,73+,74+,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,97-,105-,106-/m0/s1
• InChIKey: ATQSKVAPCXNEBM-JPVZRXNZSA-N
• XLogP: -4.02
• TPSA: 1095.03 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 38
• Rotatable Bonds: 98
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2781.22
LogP ≤ 5	-4.02
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'biotin_analogue', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CID 164952829) is (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is [H]/N=C(\N)NCCC[C@H](CC(=O)COCCOCCOCCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CO)C(=O)C[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)C[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(N)=O)C(C)C)C(C)CC.

What is the InChIKey of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is ATQSKVAPCXNEBM-JPVZRXNZSA-N. The full InChI is InChI=1S/C125H190N32O36S2/c1-8-68(4)79(58-96(163)90(64-158)151-110(177)72(25-18-42-135-123(130)131)54-77(160)65-193-51-50-192-49-48-191-47-22-27-76(159)26-12-15-34-97-106-91(66-195-97)152-125(190)154-106)113(180)143-81(35-38-98(126)164)94(161)56-73(41-52-194-7)111(178)148-86(55-75-62-137-80-29-14-13-28-78(75)80)95(162)57-74(53-71-23-10-9-11-24-71)112(179)150-89(61-104(172)173)122(189)156-45-20-32-92(156)118(185)140-69(5)109(176)145-83(30-16-17-44-139-155-134)114(181)138-63-101(167)142-88(60-100(128)166)121(188)157-46-21-33-93(157)119(186)149-87(59-99(127)165)117(184)147-84(36-39-102(168)169)115(182)146-85(37-40-103(170)171)116(183)153-105(67(2)3)120(187)141-70(6)108(175)144-82(107(129)174)31-19-43-136-124(132)133/h9-11,13-14,23-24,28-29,62,67-70,72-74,79,81-93,97,105-106,137,158H,8,12,15-22,25-27,30-61,63-66H2,1-7H3,(H2,126,164)(H2,127,165)(H2,128,166)(H2,129,174)(H,138,181)(H,140,185)(H,141,187)(H,142,167)(H,143,180)(H,144,175)(H,145,176)(H,146,182)(H,147,184)(H,148,178)(H,149,186)(H,150,179)(H,151,177)(H,153,183)(H,168,169)(H,170,171)(H,172,173)(H4,130,131,135)(H4,132,133,136)(H2,152,154,190)/t68?,69-,70-,72+,73+,74+,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,97-,105-,106-/m0/s1.

What are the key properties of (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 2781.22 g/mol, XLogP of -4.02, 98 rotatable bonds, 31 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R,5S)-5-[[(2S,5S)-5-[[(2S,5S)-5-[[(2R)-5-[2-[2-[8-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-4-oxooctoxy]ethoxy]ethoxy]-2-(3-carbamimidamidopropyl)-4-oxopentanoyl]amino]-2-butan-2-yl-6-hydroxy-4-oxohexanoyl]amino]-8-amino-2-(2-methylsulfanylethyl)-4,8-dioxooctanoyl]amino]-2-benzyl-6-(1H-indol-3-yl)-4-oxohexanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-6-azidohexanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 164952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).