6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

C155H189F4N16O41+ — CID 158392064

About 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione (PubChem CID 158392064) has the molecular formula C155H189F4N16O41+ and a molecular weight of 3008.28 g/mol. Its IUPAC name is 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

• Compound Name: 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
• PubChem CID: 158392064
• Molecular Formula: C155H189F4N16O41+
• Molecular Weight: 3008.28 g/mol
• Exact Mass: 3006.31
• IUPAC Name: 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
• SMILES: C#CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)CCCC#C.C#CCCCC(=O)OC(=O)CCCC#C.CC(C)C[C@H]1NC(=O)OC1=O.O=C(C[C@@H]1NC(=O)OC1=O)OCc1ccccc1.O=C(C[C@H]1NC(=O)OC1=O)OCc1ccccc1.O=C(O)C(F)F.O=C([O-])C(F)F.O=C1N[C@@H](Cc2ccccc2)C(=O)O1.[NH3+]CCCCCC[NH3+]
• InChI: InChI=1S/C92H112N10O18.2C12H11NO5.C12H14O3.C10H9NO3.C7H11NO3.C6H16N2.2C2H2F2O2/c1-7-9-19-47-79(103)95-71(51-63(3)4)87(111)98-74(54-66-37-23-14-24-38-66)90(114)102-78(58-84(108)120-62-70-45-31-18-32-46-70)92(116)100-76(56-82(106)118-60-68-41-27-16-28-42-68)86(110)94-50-34-12-11-33-49-93-85(109)75(55-81(105)117-59-67-39-25-15-26-40-67)99-91(115)77(57-83(107)119-61-69-43-29-17-30-44-69)101-88(112)72(52-64(5)6)97-89(113)73(53-65-35-21-13-22-36-65)96-80(104)48-20-10-8-2;2*14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8;1-3-5-7-9-11(13)15-12(14)10-8-6-4-2;12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;1-4(2)3-5-6(9)11-7(10)8-5;7-5-3-1-2-4-6-8;2*3-1(4)2(5)6/h1-2,13-18,21-32,35-46,63-64,71-78H,9-12,19-20,33-34,47-62H2,3-6H3,(H,93,109)(H,94,110)(H,95,103)(H,96,104)(H,97,113)(H,98,111)(H,99,115)(H,100,116)(H,101,112)(H,102,114);2*1-5,9H,6-7H2,(H,13,16);1-2H,5-10H2;1-5,8H,6H2,(H,11,13);4-5H,3H2,1-2H3,(H,8,10);1-8H2;2*1H,(H,5,6)/p+1/t71-,72+,73-,74+,75+,76+,77-,78-;2*9-;;8-;5-;;;/m110.01.../s1
• InChIKey: GXBSFOUPGOCRQU-URJZUROJSA-O
• XLogP: 10.45
• TPSA: 846.48 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 40
• Rotatable Bonds: 78
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3008.28
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?

The IUPAC name of 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione (CID 158392064) is 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione.

What is the SMILES notation for 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?

The canonical SMILES for 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione is C#CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)CCCC#C.C#CCCCC(=O)OC(=O)CCCC#C.CC(C)C[C@H]1NC(=O)OC1=O.O=C(C[C@@H]1NC(=O)OC1=O)OCc1ccccc1.O=C(C[C@H]1NC(=O)OC1=O)OCc1ccccc1.O=C(O)C(F)F.O=C([O-])C(F)F.O=C1N[C@@H](Cc2ccccc2)C(=O)O1.[NH3+]CCCCCC[NH3+].

What is the InChIKey of 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?

The InChIKey is GXBSFOUPGOCRQU-URJZUROJSA-O. The full InChI is InChI=1S/C92H112N10O18.2C12H11NO5.C12H14O3.C10H9NO3.C7H11NO3.C6H16N2.2C2H2F2O2/c1-7-9-19-47-79(103)95-71(51-63(3)4)87(111)98-74(54-66-37-23-14-24-38-66)90(114)102-78(58-84(108)120-62-70-45-31-18-32-46-70)92(116)100-76(56-82(106)118-60-68-41-27-16-28-42-68)86(110)94-50-34-12-11-33-49-93-85(109)75(55-81(105)117-59-67-39-25-15-26-40-67)99-91(115)77(57-83(107)119-61-69-43-29-17-30-44-69)101-88(112)72(52-64(5)6)97-89(113)73(53-65-35-21-13-22-36-65)96-80(104)48-20-10-8-2;2*14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8;1-3-5-7-9-11(13)15-12(14)10-8-6-4-2;12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7;1-4(2)3-5-6(9)11-7(10)8-5;7-5-3-1-2-4-6-8;2*3-1(4)2(5)6/h1-2,13-18,21-32,35-46,63-64,71-78H,9-12,19-20,33-34,47-62H2,3-6H3,(H,93,109)(H,94,110)(H,95,103)(H,96,104)(H,97,113)(H,98,111)(H,99,115)(H,100,116)(H,101,112)(H,102,114);2*1-5,9H,6-7H2,(H,13,16);1-2H,5-10H2;1-5,8H,6H2,(H,11,13);4-5H,3H2,1-2H3,(H,8,10);1-8H2;2*1H,(H,5,6)/p+1/t71-,72+,73-,74+,75+,76+,77-,78-;2*9-;;8-;5-;;;/m110.01.../s1.

What are the key properties of 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?

6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 3008.28 g/mol, XLogP of 10.45, 78 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-azaniumylhexylazanium;benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;benzyl (3R)-3-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[6-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(hex-5-ynoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]hexylamino]-1,4-dioxo-4-phenylmethoxybutan-2-yl]amino]-4-oxobutanoate;(4S)-4-benzyl-1,3-oxazolidine-2,5-dione;2,2-difluoroacetate;2,2-difluoroacetic acid;hex-5-ynoyl hex-5-ynoate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 158392064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).