6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide

C125H215N33O23S — CID 172873328

About 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide

6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide (PubChem CID 172873328) has the molecular formula C125H215N33O23S and a molecular weight of 2580.37 g/mol. Its IUPAC name is 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide.

Molecular Properties

• Compound Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide
• PubChem CID: 172873328
• Molecular Formula: C125H215N33O23S
• Molecular Weight: 2580.37 g/mol
• Exact Mass: 2578.64
• IUPAC Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide
• SMILES: CCC(C)C(NC(=O)CNC(=O)C(N)CS)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)C(C)CC)C(C)C
• InChI: InChI=1S/C125H215N33O23S/c1-13-78(9)104(156-102(161)73-137-109(165)85(135)74-182)123(179)139-72-101(160)143-88(50-26-35-59-128)113(169)154-98(69-83-44-20-16-21-45-83)121(177)152-95(66-75(3)4)119(175)149-92(54-30-39-63-132)116(172)146-89(51-27-36-60-129)112(168)141-80(11)107(163)145-90(52-28-37-61-130)115(171)147-93(55-31-40-64-133)117(173)153-97(68-82-42-18-15-19-43-82)110(166)138-71-100(159)142-87(49-25-34-58-127)111(167)140-81(12)108(164)151-99(70-84-46-22-17-23-47-84)122(178)157-103(77(7)8)124(180)150-94(56-32-41-65-134)118(174)158-105(79(10)14-2)125(181)155-96(67-76(5)6)120(176)148-91(53-29-38-62-131)114(170)144-86(106(136)162)48-24-33-57-126/h15-23,42-47,75-81,85-99,103-105,182H,13-14,24-41,48-74,126-135H2,1-12H3,(H2,136,162)(H,137,165)(H,138,166)(H,139,179)(H,140,167)(H,141,168)(H,142,159)(H,143,160)(H,144,170)(H,145,163)(H,146,172)(H,147,171)(H,148,176)(H,149,175)(H,150,180)(H,151,164)(H,152,177)(H,153,173)(H,154,169)(H,155,181)(H,156,161)(H,157,178)(H,158,174)
• InChIKey: PQYHWEXLQQYSGU-UHFFFAOYSA-N
• XLogP: -3.94
• TPSA: 943.49 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 34
• Rotatable Bonds: 97
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2580.37
LogP ≤ 5	-3.94
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide?

The IUPAC name of 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide (CID 172873328) is 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide.

What is the SMILES notation for 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide?

The canonical SMILES for 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide is CCC(C)C(NC(=O)CNC(=O)C(N)CS)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)C(C)CC)C(C)C.

What is the InChIKey of 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide?

The InChIKey is PQYHWEXLQQYSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H215N33O23S/c1-13-78(9)104(156-102(161)73-137-109(165)85(135)74-182)123(179)139-72-101(160)143-88(50-26-35-59-128)113(169)154-98(69-83-44-20-16-21-45-83)121(177)152-95(66-75(3)4)119(175)149-92(54-30-39-63-132)116(172)146-89(51-27-36-60-129)112(168)141-80(11)107(163)145-90(52-28-37-61-130)115(171)147-93(55-31-40-64-133)117(173)153-97(68-82-42-18-15-19-43-82)110(166)138-71-100(159)142-87(49-25-34-58-127)111(167)140-81(12)108(164)151-99(70-84-46-22-17-23-47-84)122(178)157-103(77(7)8)124(180)150-94(56-32-41-65-134)118(174)158-105(79(10)14-2)125(181)155-96(67-76(5)6)120(176)148-91(53-29-38-62-131)114(170)144-86(106(136)162)48-24-33-57-126/h15-23,42-47,75-81,85-99,103-105,182H,13-14,24-41,48-74,126-135H2,1-12H3,(H2,136,162)(H,137,165)(H,138,166)(H,139,179)(H,140,167)(H,141,168)(H,142,159)(H,143,160)(H,144,170)(H,145,163)(H,146,172)(H,147,171)(H,148,176)(H,149,175)(H,150,180)(H,151,164)(H,152,177)(H,153,173)(H,154,169)(H,155,181)(H,156,161)(H,157,178)(H,158,174).

What are the key properties of 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide?

6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide has a molecular weight of 2580.37 g/mol, XLogP of -3.94, 97 rotatable bonds, 34 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanamide is sourced from PubChem (CID 172873328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).