(4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate

C140H171N31O21 — CID 177408069

About (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate

(4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate (PubChem CID 177408069) has the molecular formula C140H171N31O21 and a molecular weight of 2624.10 g/mol. Its IUPAC name is (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate.

Molecular Properties

• Compound Name: (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate
• PubChem CID: 177408069
• Molecular Formula: C140H171N31O21
• Molecular Weight: 2624.10 g/mol
• Exact Mass: 2622.33
• IUPAC Name: (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate
• SMILES: [H]/N=C(\N)NCCC[C@@H](NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CCCCC[N+]1=C(/C=C2\C([O-])=C(/C=C3\N(CC)c4ccc5ccccc5c4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2c1ccc1ccccc21)C(=O)NCCCC[C@H](NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CCCCC[N+]1=C(/C=C2\C([O-])=C(/C=C3/N(CC)c4ccc5ccccc5c4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2c1ccc1ccccc21)C(N)=O
• InChI: InChI=1S/C140H171N31O21/c1-11-168-102-54-50-81-35-17-21-39-87(81)122(102)137(3,4)106(168)65-91-120(85(71-143)72-144)93(126(91)184)67-108-139(7,8)124-89-41-23-19-37-83(89)52-56-104(124)170(108)63-31-13-15-48-110(172)155-75-112(174)157-77-114(176)162-97(44-25-28-58-141)133(191)166-100(69-118(180)181)130(188)159-79-116(178)161-96(46-33-61-153-135(148)149)129(187)152-60-30-27-43-95(128(147)186)165-132(190)99(47-34-62-154-136(150)151)164-117(179)80-160-131(189)101(70-119(182)183)167-134(192)98(45-26-29-59-142)163-115(177)78-158-113(175)76-156-111(173)49-16-14-32-64-171-105-57-53-84-38-20-24-42-90(84)125(105)140(9,10)109(171)68-94-121(86(73-145)74-146)92(127(94)185)66-107-138(5,6)123-88-40-22-18-36-82(88)51-55-103(123)169(107)12-2/h17-24,35-42,50-57,65-68,95-101H,11-16,25-34,43-49,58-64,69-70,75-80,141-142H2,1-10H3,(H26-2,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192)/t95-,96+,97+,98+,99+,100+,101+/m0/s1
• InChIKey: QFCOPPUQQGZXGW-FIGQVMKFSA-N
• XLogP: 5.67
• TPSA: 854.71 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 29
• Rotatable Bonds: 69
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2624.10
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate?

The IUPAC name of (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate (CID 177408069) is (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate.

What is the SMILES notation for (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate?

The canonical SMILES for (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate is [H]/N=C(\N)NCCC[C@@H](NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CCCCC[N+]1=C(/C=C2\C([O-])=C(/C=C3\N(CC)c4ccc5ccccc5c4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2c1ccc1ccccc21)C(=O)NCCCC[C@H](NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)CNC(=O)CCCCC[N+]1=C(/C=C2\C([O-])=C(/C=C3/N(CC)c4ccc5ccccc5c4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2c1ccc1ccccc21)C(N)=O.

What is the InChIKey of (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate?

The InChIKey is QFCOPPUQQGZXGW-FIGQVMKFSA-N. The full InChI is InChI=1S/C140H171N31O21/c1-11-168-102-54-50-81-35-17-21-39-87(81)122(102)137(3,4)106(168)65-91-120(85(71-143)72-144)93(126(91)184)67-108-139(7,8)124-89-41-23-19-37-83(89)52-56-104(124)170(108)63-31-13-15-48-110(172)155-75-112(174)157-77-114(176)162-97(44-25-28-58-141)133(191)166-100(69-118(180)181)130(188)159-79-116(178)161-96(46-33-61-153-135(148)149)129(187)152-60-30-27-43-95(128(147)186)165-132(190)99(47-34-62-154-136(150)151)164-117(179)80-160-131(189)101(70-119(182)183)167-134(192)98(45-26-29-59-142)163-115(177)78-158-113(175)76-156-111(173)49-16-14-32-64-171-105-57-53-84-38-20-24-42-90(84)125(105)140(9,10)109(171)68-94-121(86(73-145)74-146)92(127(94)185)66-107-138(5,6)123-88-40-22-18-36-82(88)51-55-103(123)169(107)12-2/h17-24,35-42,50-57,65-68,95-101H,11-16,25-34,43-49,58-64,69-70,75-80,141-142H2,1-10H3,(H26-2,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192)/t95-,96+,97+,98+,99+,100+,101+/m0/s1.

What are the key properties of (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate?

(4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate has a molecular weight of 2624.10 g/mol, XLogP of 5.67, 69 rotatable bonds, 25 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[[3-[6-[[2-[[2-[[(2R)-6-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(5S)-6-amino-5-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-6-amino-2-[[2-[[2-[6-[2-[(Z)-[4-(dicyanomethylidene)-3-[(E)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]-2-oxidocyclobut-2-en-1-ylidene]methyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoylamino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-oxohexyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]methylidene]-3-(dicyanomethylidene)-2-[(Z)-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)methyl]cyclobuten-1-olate is sourced from PubChem (CID 177408069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).