(2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid

C135H198N18O40S6+2 — CID 157209093

About (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid

(2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid (PubChem CID 157209093) has the molecular formula C135H198N18O40S6+2 and a molecular weight of 2905.56 g/mol. Its IUPAC name is (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid.

Molecular Properties

• Compound Name: (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid
• PubChem CID: 157209093
• Molecular Formula: C135H198N18O40S6+2
• Molecular Weight: 2905.56 g/mol
• Exact Mass: 2903.23
• IUPAC Name: (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid
• SMILES: COCCN(CC(=O)NCCNC(=O)C(CCCCNC(=O)CCCN(C)Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C/C=C1/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)=[N+]2CCCS(=O)(=O)O)NC(=O)C(CO)CC(=O)C(CO)NC(=O)C(CCC(N)=O)CC(=O)C(NC(=O)C(CO)CC(=O)C(CO)NC(=O)C1CC(O)CN1C(=O)C(CCCCNC(=O)CCCN(C)Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C/C=C1/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)=[N+]2CCCS(=O)(=O)O)NC(C)=O)C1CCCCC1)C(=O)COC
• InChI: InChI=1S/C135H196N18O40S6/c1-90(158)141-105(40-28-30-58-138-122(165)46-32-62-147(11)82-92-48-53-109-101(74-92)133(4,5)117(150(109)64-34-70-195(177,178)179)42-24-17-15-19-26-44-119-135(8,9)103-80-99(199(189,190)191)51-55-111(103)152(119)66-36-72-197(183,184)185)131(173)153-83-97(159)78-112(153)130(172)144-107(88-157)114(161)77-96(86-155)128(170)145-125(93-37-21-20-22-38-93)115(162)75-94(49-56-120(136)163)126(168)143-106(87-156)113(160)76-95(85-154)127(169)142-104(129(171)140-60-59-139-123(166)84-148(67-68-192-12)124(167)89-193-13)39-27-29-57-137-121(164)45-31-61-146(10)81-91-47-52-108-100(73-91)132(2,3)116(149(108)63-33-69-194(174,175)176)41-23-16-14-18-25-43-118-134(6,7)102-79-98(198(186,187)188)50-54-110(102)151(118)65-35-71-196(180,181)182/h14-19,23-26,41-44,47-48,50-55,73-74,79-80,93-97,104-107,112,125,154-157,159H,20-22,27-40,45-46,49,56-72,75-78,81-89H2,1-13H3,(H15-2,136,137,138,139,140,141,142,143,144,145,158,163,164,165,166,168,169,170,171,172,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191)/p+2
• InChIKey: JWQNIRDUPJPRTD-UHFFFAOYSA-P
• XLogP: 4.74
• TPSA: 861.63 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 38
• Rotatable Bonds: 86
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2905.56
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid?

The IUPAC name of (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid (CID 157209093) is (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid.

What is the SMILES notation for (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid?

The canonical SMILES for (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid is COCCN(CC(=O)NCCNC(=O)C(CCCCNC(=O)CCCN(C)Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C/C=C1/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)=[N+]2CCCS(=O)(=O)O)NC(=O)C(CO)CC(=O)C(CO)NC(=O)C(CCC(N)=O)CC(=O)C(NC(=O)C(CO)CC(=O)C(CO)NC(=O)C1CC(O)CN1C(=O)C(CCCCNC(=O)CCCN(C)Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C/C=C1/N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)=[N+]2CCCS(=O)(=O)O)NC(C)=O)C1CCCCC1)C(=O)COC.

What is the InChIKey of (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid?

The InChIKey is JWQNIRDUPJPRTD-UHFFFAOYSA-P. The full InChI is InChI=1S/C135H196N18O40S6/c1-90(158)141-105(40-28-30-58-138-122(165)46-32-62-147(11)82-92-48-53-109-101(74-92)133(4,5)117(150(109)64-34-70-195(177,178)179)42-24-17-15-19-26-44-119-135(8,9)103-80-99(199(189,190)191)51-55-111(103)152(119)66-36-72-197(183,184)185)131(173)153-83-97(159)78-112(153)130(172)144-107(88-157)114(161)77-96(86-155)128(170)145-125(93-37-21-20-22-38-93)115(162)75-94(49-56-120(136)163)126(168)143-106(87-156)113(160)76-95(85-154)127(169)142-104(129(171)140-60-59-139-123(166)84-148(67-68-192-12)124(167)89-193-13)39-27-29-57-137-121(164)45-31-61-146(10)81-91-47-52-108-100(73-91)132(2,3)116(149(108)63-33-69-194(174,175)176)41-23-16-14-18-25-43-118-134(6,7)102-79-98(198(186,187)188)50-54-110(102)151(118)65-35-71-196(180,181)182/h14-19,23-26,41-44,47-48,50-55,73-74,79-80,93-97,104-107,112,125,154-157,159H,20-22,27-40,45-46,49,56-72,75-78,81-89H2,1-13H3,(H15-2,136,137,138,139,140,141,142,143,144,145,158,163,164,165,166,168,169,170,171,172,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191)/p+2.

What are the key properties of (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid?

(2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid has a molecular weight of 2905.56 g/mol, XLogP of 4.74, 86 rotatable bonds, 21 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(2E,4E,6E)-7-[5-[[[4-[[5-[[5-[[5-[[5-[[1-[2-acetamido-6-[4-[[2-[(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]hepta-1,3,5-trienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-yl]methyl-methylamino]butanoylamino]hexanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-2-(3-amino-3-oxopropyl)-5-cyclohexyl-4-oxopentanoyl]amino]-6-hydroxy-2-(hydroxymethyl)-4-oxohexanoyl]amino]-6-[2-[[2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutyl]-methylamino]methyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid is sourced from PubChem (CID 157209093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).