(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate

C115H184N20O43S3 — CID 157193383

About (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate

(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate (PubChem CID 157193383) has the molecular formula C115H184N20O43S3 and a molecular weight of 2634.05 g/mol. Its IUPAC name is (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate.

Molecular Properties

• Compound Name: (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate
• PubChem CID: 157193383
• Molecular Formula: C115H184N20O43S3
• Molecular Weight: 2634.05 g/mol
• Exact Mass: 2632.22
• IUPAC Name: (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate
• SMILES: CCCCCOCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSC)cs1)C(C)C.CSC[C@@H](NC(=O)C(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)[C@@H](CCC(=O)O)NC(=O)C(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(=O)O.[H][2H].[H][2H].[H][2H]
• InChI: InChI=1S/C69H103N13O34S.C46H75N7O9S2.3H2/c1-117-29-40(68(115)116)80-65(111)33(6-15-51(97)74-25-45(91)57(104)60(107)48(94)28-85)20-42(88)38(12-17-53(100)101)78-64(110)32(5-14-50(96)73-24-44(90)56(103)59(106)47(93)27-84)19-41(87)37(11-16-52(98)99)77-63(109)31(4-13-49(95)72-23-43(89)55(102)58(105)46(92)26-83)18-36(86)9-10-39(67(113)114)79-62(108)30-2-7-34(8-3-30)71-21-35-22-75-61-54(76-35)66(112)82-69(70)81-61;1-10-12-15-22-61-29-53(45(58)40(31(5)11-2)49-43(57)37-16-13-14-21-52(37)7)38(30(3)4)27-39(60-8)44-48-36(28-64-44)42(56)47-34(26-33-17-19-35(54)20-18-33)25-32(6)41(55)50-51-46(59)62-23-24-63-9;;;/h2-3,7-8,22,31-33,37-40,43-48,55-60,71,83-85,89-94,102-107H,4-6,9-21,23-29H2,1H3,(H,72,95)(H,73,96)(H,74,97)(H,77,109)(H,78,110)(H,79,108)(H,80,111)(H,98,99)(H,100,101)(H,113,114)(H,115,116)(H3,70,75,81,82,112);17-20,28,30-32,34,37-40,54H,10-16,21-27,29H2,1-9H3,(H,47,56)(H,49,57)(H,50,55)(H,51,59);3*1H/t31?,32-,33?,37-,38-,39+,40-,43+,44+,45+,46-,47-,48-,55-,56-,57-,58-,59-,60-;31?,32-,34+,37+,38+,39+,40-;;;/m10.../s1/i;;3*1+1
• InChIKey: APYOUNXQPZPTDW-KCNDPFPYSA-N
• XLogP: -3.59
• TPSA: 1017.90 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 49
• Rotatable Bonds: 86
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2634.05
LogP ≤ 5	-3.59
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate?

The IUPAC name of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate (CID 157193383) is (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate.

What is the SMILES notation for (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate?

The canonical SMILES for (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate is CCCCCOCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](OC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSC)cs1)C(C)C.CSC[C@@H](NC(=O)C(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)[C@@H](CCC(=O)O)NC(=O)C(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(=O)O.[H][2H].[H][2H].[H][2H].

What is the InChIKey of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate?

The InChIKey is APYOUNXQPZPTDW-KCNDPFPYSA-N. The full InChI is InChI=1S/C69H103N13O34S.C46H75N7O9S2.3H2/c1-117-29-40(68(115)116)80-65(111)33(6-15-51(97)74-25-45(91)57(104)60(107)48(94)28-85)20-42(88)38(12-17-53(100)101)78-64(110)32(5-14-50(96)73-24-44(90)56(103)59(106)47(93)27-84)19-41(87)37(11-16-52(98)99)77-63(109)31(4-13-49(95)72-23-43(89)55(102)58(105)46(92)26-83)18-36(86)9-10-39(67(113)114)79-62(108)30-2-7-34(8-3-30)71-21-35-22-75-61-54(76-35)66(112)82-69(70)81-61;1-10-12-15-22-61-29-53(45(58)40(31(5)11-2)49-43(57)37-16-13-14-21-52(37)7)38(30(3)4)27-39(60-8)44-48-36(28-64-44)42(56)47-34(26-33-17-19-35(54)20-18-33)25-32(6)41(55)50-51-46(59)62-23-24-63-9;;;/h2-3,7-8,22,31-33,37-40,43-48,55-60,71,83-85,89-94,102-107H,4-6,9-21,23-29H2,1H3,(H,72,95)(H,73,96)(H,74,97)(H,77,109)(H,78,110)(H,79,108)(H,80,111)(H,98,99)(H,100,101)(H,113,114)(H,115,116)(H3,70,75,81,82,112);17-20,28,30-32,34,37-40,54H,10-16,21-27,29H2,1-9H3,(H,47,56)(H,49,57)(H,50,55)(H,51,59);3*1H/t31?,32-,33?,37-,38-,39+,40-,43+,44+,45+,46-,47-,48-,55-,56-,57-,58-,59-,60-;31?,32-,34+,37+,38+,39+,40-;;;/m10.../s1/i;;3*1+1.

What are the key properties of (2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate?

(2S,7R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-7-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate has a molecular weight of 2634.05 g/mol, XLogP of -3.59, 86 rotatable bonds, 34 hydrogen bond donors, and 49 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-[[(3R,6R)-1-carboxy-6-[[(3R,6R)-1-carboxy-6-[[(1S)-1-carboxy-2-methylsulfanylethyl]carbamoyl]-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-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;deuterium monohydride;2-methylsulfanylethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-4-[[2-[(1R,3R)-1-methoxy-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoyl]amino]carbamate is sourced from PubChem (CID 157193383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).