[(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

C115H153Cl12N7O32 — CID 160547257

About [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

[(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate (PubChem CID 160547257) has the molecular formula C115H153Cl12N7O32 and a molecular weight of 2570.94 g/mol. Its IUPAC name is [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate.

Molecular Properties

• Compound Name: [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
• PubChem CID: 160547257
• Molecular Formula: C115H153Cl12N7O32
• Molecular Weight: 2570.94 g/mol
• Exact Mass: 2563.68
• IUPAC Name: [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
• SMILES: CCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](OCCCCCN=[N+]=[N-])C(NC(=O)OCC(Cl)(Cl)Cl)[C@H]2C)C(NC(=O)OCC(Cl)(Cl)Cl)C(C)[C@@H]1O[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](O[C@@H]2OC(CC)[C@H](O[C@@H]3OC(CC)[C@@H](O[C@@H]4OC(COCc5ccccc5)[C@H](C)[C@H](C)C4OC(=O)c4ccccc4)[C@H](C)C3NC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)C2O[C@@H]2OC(CC)[C@@H](O[C@@H]3OC(COCc4ccccc4)[C@H](C)[C@H](C)C3OC(=O)c3ccccc3)[C@H](C)C2NC(=O)OCC(Cl)(Cl)Cl)C1C
• InChI: InChI=1S/C115H153Cl12N7O32/c1-16-75-88(64(10)83(130-108(137)145-56-112(116,117)118)101(149-75)143-50-38-26-37-49-129-134-128)160-102-84(131-109(138)146-57-113(119,120)121)65(11)87(76(17-2)150-102)159-99-69(15)92(96-82(156-99)55-144-100(166-96)74-47-35-25-36-48-74)164-107-95(165-104-86(133-111(140)148-59-115(125,126)127)67(13)90(78(19-4)152-104)163-106-94(158-98(136)73-45-33-24-34-46-73)63(9)61(7)81(155-106)54-142-52-71-41-29-22-30-42-71)68(14)91(79(20-5)153-107)161-103-85(132-110(139)147-58-114(122,123)124)66(12)89(77(18-3)151-103)162-105-93(157-97(135)72-43-31-23-32-44-72)62(8)60(6)80(154-105)53-141-51-70-39-27-21-28-40-70/h21-25,27-36,39-48,60-69,75-96,99-107H,16-20,26,37-38,49-59H2,1-15H3,(H,130,137)(H,131,138)(H,132,139)(H,133,140)/t60-,61-,62+,63+,64-,65?,66-,67-,68-,69?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87+,88+,89+,90+,91-,92-,93?,94?,95?,96-,99+,100?,101-,102+,103+,104+,105+,106+,107+/m1/s1
• InChIKey: UFPOOVRARJXCQP-VOWBVWPLSA-N
• XLogP: 23.25
• TPSA: 439.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.94
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate?

The IUPAC name of [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate (CID 160547257) is [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate.

What is the SMILES notation for [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate?

The canonical SMILES for [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate is CCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](OCCCCCN=[N+]=[N-])C(NC(=O)OCC(Cl)(Cl)Cl)[C@H]2C)C(NC(=O)OCC(Cl)(Cl)Cl)C(C)[C@@H]1O[C@@H]1OC2COC(c3ccccc3)O[C@H]2[C@H](O[C@@H]2OC(CC)[C@H](O[C@@H]3OC(CC)[C@@H](O[C@@H]4OC(COCc5ccccc5)[C@H](C)[C@H](C)C4OC(=O)c4ccccc4)[C@H](C)C3NC(=O)OCC(Cl)(Cl)Cl)[C@@H](C)C2O[C@@H]2OC(CC)[C@@H](O[C@@H]3OC(COCc4ccccc4)[C@H](C)[C@H](C)C3OC(=O)c3ccccc3)[C@H](C)C2NC(=O)OCC(Cl)(Cl)Cl)C1C.

What is the InChIKey of [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate?

The InChIKey is UFPOOVRARJXCQP-VOWBVWPLSA-N. The full InChI is InChI=1S/C115H153Cl12N7O32/c1-16-75-88(64(10)83(130-108(137)145-56-112(116,117)118)101(149-75)143-50-38-26-37-49-129-134-128)160-102-84(131-109(138)146-57-113(119,120)121)65(11)87(76(17-2)150-102)159-99-69(15)92(96-82(156-99)55-144-100(166-96)74-47-35-25-36-48-74)164-107-95(165-104-86(133-111(140)148-59-115(125,126)127)67(13)90(78(19-4)152-104)163-106-94(158-98(136)73-45-33-24-34-46-73)63(9)61(7)81(155-106)54-142-52-71-41-29-22-30-42-71)68(14)91(79(20-5)153-107)161-103-85(132-110(139)147-58-114(122,123)124)66(12)89(77(18-3)151-103)162-105-93(157-97(135)72-43-31-23-32-44-72)62(8)60(6)80(154-105)53-141-51-70-39-27-21-28-40-70/h21-25,27-36,39-48,60-69,75-96,99-107H,16-20,26,37-38,49-59H2,1-15H3,(H,130,137)(H,131,138)(H,132,139)(H,133,140)/t60-,61-,62+,63+,64-,65?,66-,67-,68-,69?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87+,88+,89+,90+,91-,92-,93?,94?,95?,96-,99+,100?,101-,102+,103+,104+,105+,106+,107+/m1/s1.

What are the key properties of [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate?

[(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate has a molecular weight of 2570.94 g/mol, XLogP of 23.25, 47 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S,5R)-2-[(3S,4R,6S)-6-[(3R,4R,6S)-6-[[(6R,8R,8aS)-6-[(3S,4R,6S)-6-[(3S,4R,6R)-6-(5-azidopentoxy)-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[(2S,4R,5S)-5-[(2S,4S,5R)-3-benzoyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-4-methyl-3-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2-ethyl-4-methyl-5-(2,2,2-trichloroethoxycarbonylamino)oxan-3-yl]oxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl] benzoate is sourced from PubChem (CID 160547257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).