(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid

C118H159N27O45S4 — CID 159484089

About (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid

(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid (PubChem CID 159484089) has the molecular formula C118H159N27O45S4 and a molecular weight of 2803.98 g/mol. Its IUPAC name is (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid.

Molecular Properties

• Compound Name: (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid
• PubChem CID: 159484089
• Molecular Formula: C118H159N27O45S4
• Molecular Weight: 2803.98 g/mol
• Exact Mass: 2801.99
• IUPAC Name: (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid
• SMILES: CCC(=O)[C@H](CSSCCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O.C[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C[C@@H](CSSCCOC(=O)CC[C@H](CC(=O)c1ccc(CCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O
• InChI: InChI=1S/C74H99N19O28S2.C44H60N8O17S2/c1-2-47(97)46(33-123-122-22-21-121-56(107)20-16-45(72(119)120)88-67(113)35-5-9-38(10-6-35)78-25-40-27-82-64-57(84-40)63(75)90-73(76)91-64)89-69(115)37(8-18-54(104)81-30-50(100)60(109)62(111)52(102)32-95)24-48(98)43(15-19-55(105)106)86-68(114)36(7-17-53(103)80-29-49(99)59(108)61(110)51(101)31-94)23-42(96)13-14-44(71(117)118)87-66(112)34-3-11-39(12-4-34)79-26-41-28-83-65-58(85-41)70(116)93-74(77)92-65;1-22(2-12-34(59)60)41(64)50-28(10-11-33(58)47-19-31(56)37(62)38(63)32(57)20-53)30(55)17-26(43(67)68)21-71-70-15-14-69-35(61)13-8-25(42(65)66)16-29(54)24-6-3-23(4-7-24)5-9-27-18-48-40-36(49-27)39(45)51-44(46)52-40/h3-6,9-12,27-28,36-37,43-46,49-52,59-62,78-79,94-95,99-102,108-111H,2,7-8,13-26,29-33H2,1H3,(H,80,103)(H,81,104)(H,86,114)(H,87,112)(H,88,113)(H,89,115)(H,105,106)(H,117,118)(H,119,120)(H4,75,76,82,90,91)(H3,77,83,92,93,116);3-4,6-7,18,22,25-26,28,31-32,37-38,53,56-57,62-63H,2,5,8-17,19-21H2,1H3,(H,47,58)(H,50,64)(H,59,60)(H,65,66)(H,67,68)(H4,45,46,48,51,52)/t36-,37-,43+,44+,45+,46+,49+,50+,51-,52-,59-,60-,61-,62-;22-,25+,26-,28-,31-,32+,37+,38+/m10/s1
• InChIKey: LXJBZMMENBMAST-HBBUWZCGSA-N
• XLogP: -6.08
• TPSA: 1226.81 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 61
• Rotatable Bonds: 90
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2803.98
LogP ≤ 5	-6.08
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid?

The IUPAC name of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid (CID 159484089) is (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid.

What is the SMILES notation for (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid?

The canonical SMILES for (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid is CCC(=O)[C@H](CSSCCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O.C[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C[C@@H](CSSCCOC(=O)CC[C@H](CC(=O)c1ccc(CCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O.

What is the InChIKey of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid?

The InChIKey is LXJBZMMENBMAST-HBBUWZCGSA-N. The full InChI is InChI=1S/C74H99N19O28S2.C44H60N8O17S2/c1-2-47(97)46(33-123-122-22-21-121-56(107)20-16-45(72(119)120)88-67(113)35-5-9-38(10-6-35)78-25-40-27-82-64-57(84-40)63(75)90-73(76)91-64)89-69(115)37(8-18-54(104)81-30-50(100)60(109)62(111)52(102)32-95)24-48(98)43(15-19-55(105)106)86-68(114)36(7-17-53(103)80-29-49(99)59(108)61(110)51(101)31-94)23-42(96)13-14-44(71(117)118)87-66(112)34-3-11-39(12-4-34)79-26-41-28-83-65-58(85-41)70(116)93-74(77)92-65;1-22(2-12-34(59)60)41(64)50-28(10-11-33(58)47-19-31(56)37(62)38(63)32(57)20-53)30(55)17-26(43(67)68)21-71-70-15-14-69-35(61)13-8-25(42(65)66)16-29(54)24-6-3-23(4-7-24)5-9-27-18-48-40-36(49-27)39(45)51-44(46)52-40/h3-6,9-12,27-28,36-37,43-46,49-52,59-62,78-79,94-95,99-102,108-111H,2,7-8,13-26,29-33H2,1H3,(H,80,103)(H,81,104)(H,86,114)(H,87,112)(H,88,113)(H,89,115)(H,105,106)(H,117,118)(H,119,120)(H4,75,76,82,90,91)(H3,77,83,92,93,116);3-4,6-7,18,22,25-26,28,31-32,37-38,53,56-57,62-63H,2,5,8-17,19-21H2,1H3,(H,47,58)(H,50,64)(H,59,60)(H,65,66)(H,67,68)(H4,45,46,48,51,52)/t36-,37-,43+,44+,45+,46+,49+,50+,51-,52-,59-,60-,61-,62-;22-,25+,26-,28-,31-,32+,37+,38+/m10/s1.

What are the key properties of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid?

(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid has a molecular weight of 2803.98 g/mol, XLogP of -6.08, 90 rotatable bonds, 37 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3S,6R)-1-carboxy-6-[[(2R)-1-[2-[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanoyl]oxyethyldisulfanyl]-3-oxopentan-2-yl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(2R,5S)-2-[[2-[(4R)-4-carboxy-6-[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]-6-oxohexanoyl]oxyethyldisulfanyl]methyl]-5-[[(2S)-4-carboxy-2-methylbutanoyl]amino]-4,8-dioxo-8-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]octanoic acid is sourced from PubChem (CID 159484089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).