2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid

C112H164N14O32S — CID 175768685

About 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid

2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid (PubChem CID 175768685) has the molecular formula C112H164N14O32S and a molecular weight of 2250.68 g/mol. Its IUPAC name is 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid.

Molecular Properties

• Compound Name: 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid
• PubChem CID: 175768685
• Molecular Formula: C112H164N14O32S
• Molecular Weight: 2250.68 g/mol
• Exact Mass: 2249.14
• IUPAC Name: 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(C)NC(=O)C(NC(=O)CCOCCOCCOCCOCCNC(=O)C(CS(=O)(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)cc(CN(C)N(C)C(=O)OCC2c4ccccc4-c4ccccc42)n3CCC(=O)OC(C)(C)C)C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)C(C)C
• InChI: InChI=1S/C112H164N14O32S/c1-21-68(8)97(87(148-19)59-92(131)126-46-29-36-85(126)102(149-20)69(9)103(137)114-70(10)98(133)73-30-23-22-24-31-73)122(16)108(142)95(66(4)5)120-107(141)96(67(6)7)123(17)110(143)154-62-72-37-39-82(86(56-72)156-109-101(136)100(135)99(134)88(61-127)157-109)118-104(138)71(11)115-106(140)94(65(2)3)119-91(130)44-48-150-50-52-152-54-55-153-53-51-151-49-45-113-105(139)83(64-159(145,146)147)117-90(129)42-41-89(128)116-75-38-40-84-74(57-75)58-76(125(84)47-43-93(132)158-112(12,13)14)60-121(15)124(18)111(144)155-63-81-79-34-27-25-32-77(79)78-33-26-28-35-80(78)81/h22-28,30-35,37-40,56-58,65-71,81,83,85,87-88,94-102,109,127,133-136H,21,29,36,41-55,59-64H2,1-20H3,(H,113,139)(H,114,137)(H,115,140)(H,116,128)(H,117,129)(H,118,138)(H,119,130)(H,120,141)(H,145,146,147)/t68-,69+,70+,71?,83?,85-,87+,88+,94?,95-,96-,97-,98+,99+,100-,101+,102+,109+/m0/s1
• InChIKey: CNRATGQHOJNZHI-XXGXWFGCSA-N
• XLogP: 6.62
• TPSA: 596.33 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 62
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2250.68
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid?

The IUPAC name of 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid (CID 175768685) is 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid.

What is the SMILES notation for 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid?

The canonical SMILES for 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(C)NC(=O)C(NC(=O)CCOCCOCCOCCOCCNC(=O)C(CS(=O)(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)cc(CN(C)N(C)C(=O)OCC2c4ccccc4-c4ccccc42)n3CCC(=O)OC(C)(C)C)C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)C(C)C.

What is the InChIKey of 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid?

The InChIKey is CNRATGQHOJNZHI-XXGXWFGCSA-N. The full InChI is InChI=1S/C112H164N14O32S/c1-21-68(8)97(87(148-19)59-92(131)126-46-29-36-85(126)102(149-20)69(9)103(137)114-70(10)98(133)73-30-23-22-24-31-73)122(16)108(142)95(66(4)5)120-107(141)96(67(6)7)123(17)110(143)154-62-72-37-39-82(86(56-72)156-109-101(136)100(135)99(134)88(61-127)157-109)118-104(138)71(11)115-106(140)94(65(2)3)119-91(130)44-48-150-50-52-152-54-55-153-53-51-151-49-45-113-105(139)83(64-159(145,146)147)117-90(129)42-41-89(128)116-75-38-40-84-74(57-75)58-76(125(84)47-43-93(132)158-112(12,13)14)60-121(15)124(18)111(144)155-63-81-79-34-27-25-32-77(79)78-33-26-28-35-80(78)81/h22-28,30-35,37-40,56-58,65-71,81,83,85,87-88,94-102,109,127,133-136H,21,29,36,41-55,59-64H2,1-20H3,(H,113,139)(H,114,137)(H,115,140)(H,116,128)(H,117,129)(H,118,138)(H,119,130)(H,120,141)(H,145,146,147)/t68-,69+,70+,71?,83?,85-,87+,88+,94?,95-,96-,97-,98+,99+,100-,101+,102+,109+/m0/s1.

What are the key properties of 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid?

2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid has a molecular weight of 2250.68 g/mol, XLogP of 6.62, 62 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[2-[[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-methylamino]methyl]-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indol-5-yl]amino]-4-oxobutanoyl]amino]-3-[2-[2-[2-[2-[3-[[1-[[1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid is sourced from PubChem (CID 175768685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).