(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C78H104N8O28 — CID 158316828

About (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 158316828) has the molecular formula C78H104N8O28 and a molecular weight of 1601.72 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 158316828
• Molecular Formula: C78H104N8O28
• Molecular Weight: 1601.72 g/mol
• Exact Mass: 1600.70
• IUPAC Name: (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: CC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\CNc3ccc(OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(C)=O)cc32)c1C
• InChI: InChI=1S/C39H52N4O13.C22H28N4O3.C17H24O12/c1-11-43(12-2)16-15-40-34(45)33-20(3)32(42-21(33)4)17-28-19-41-31-14-13-29(18-30(28)31)56-39(50)26(9)55-38(49)25(8)54-37(48)24(7)53-36(47)23(6)52-35(46)22(5)51-27(10)44;1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28;1-7(13(19)20)26-15(22)9(3)28-17(24)11(5)29-16(23)10(4)27-14(21)8(2)25-12(6)18/h13-14,17-18,22-26,41-42H,11-12,15-16,19H2,1-10H3,(H,40,45);7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28);7-11H,1-6H3,(H,19,20)/b28-17+;17-12-;/t22-,23-,24-,25-,26-;;7-,8+,9-,10-,11-/m0.1/s1
• InChIKey: GOIZWKUHUYVJJC-FBRBXTQNSA-N
• XLogP: 5.90
• TPSA: 484.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1601.72
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 158316828) is (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(O)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\CNc3ccc(OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)[C@H](C)OC(C)=O)cc32)c1C.

What is the InChIKey of (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is GOIZWKUHUYVJJC-FBRBXTQNSA-N. The full InChI is InChI=1S/C39H52N4O13.C22H28N4O3.C17H24O12/c1-11-43(12-2)16-15-40-34(45)33-20(3)32(42-21(33)4)17-28-19-41-31-14-13-29(18-30(28)31)56-39(50)26(9)55-38(49)25(8)54-37(48)24(7)53-36(47)23(6)52-35(46)22(5)51-27(10)44;1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28;1-7(13(19)20)26-15(22)9(3)28-17(24)11(5)29-16(23)10(4)27-14(21)8(2)25-12(6)18/h13-14,17-18,22-26,41-42H,11-12,15-16,19H2,1-10H3,(H,40,45);7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28);7-11H,1-6H3,(H,19,20)/b28-17+;17-12-;/t22-,23-,24-,25-,26-;;7-,8+,9-,10-,11-/m0.1/s1.

What are the key properties of (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 1601.72 g/mol, XLogP of 5.90, 35 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1,2-dihydroindol-5-yl]oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-acetyloxypropanoate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158316828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).