(2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid

C101H135N23O35S3 — CID 131977455

About (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid

(2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid (PubChem CID 131977455) has the molecular formula C101H135N23O35S3 and a molecular weight of 2327.52 g/mol. Its IUPAC name is (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• PubChem CID: 131977455
• Molecular Formula: C101H135N23O35S3
• Molecular Weight: 2327.52 g/mol
• Exact Mass: 2325.87
• IUPAC Name: (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSC1CC(=O)N(CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCNC(=O)CCSSC(C)(C)COC(=O)N2c3cc(OCCCCCOc4cc5c(cc4OC)C(=O)NCC(=C)CC/C=N/5)c(OC)cc3C(=O)N3CC(=C)C[C@H]3C2O)C1=O)C(=O)O
• InChI: InChI=1S/C101H135N23O35S3/c1-55-12-10-23-105-64-43-73(71(151-5)41-60(64)87(137)112-49-55)157-29-8-7-9-30-158-74-47-69-61(42-72(74)152-6)93(143)123-52-56(2)40-70(123)94(144)124(69)100(150)159-54-101(3,4)162-161-39-22-78(127)107-26-25-106-77(126)21-31-153-33-35-155-37-38-156-36-34-154-32-27-108-76(125)20-28-122-80(129)48-75(95(122)145)160-53-68(97(148)149)119-91(141)67(46-83(134)135)118-90(140)66(45-82(132)133)117-88(138)62(13-11-24-109-98(102)103)115-89(139)65(44-81(130)131)114-79(128)19-18-63(96(146)147)116-86(136)57-14-16-58(17-15-57)110-50-59-51-111-85-84(113-59)92(142)121-99(104)120-85/h14-17,23,41-43,47,51,62-63,65-68,70,75,94,110,144H,1-2,7-13,18-22,24-40,44-46,48-50,52-54H2,3-6H3,(H,106,126)(H,107,127)(H,108,125)(H,112,137)(H,114,128)(H,115,139)(H,116,136)(H,117,138)(H,118,140)(H,119,141)(H,130,131)(H,132,133)(H,134,135)(H,146,147)(H,148,149)(H4,102,103,109)(H3,104,111,120,121,142)/b105-23+/t62-,63-,65-,66-,67-,68-,70-,75?,94?/m0/s1
• InChIKey: GRUAPLWYPQDJQI-YKMHZASCSA-N
• XLogP: -0.15
• TPSA: 842.64 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 40
• Rotatable Bonds: 70
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.52
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid (CID 131977455) is (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSC1CC(=O)N(CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCNC(=O)CCSSC(C)(C)COC(=O)N2c3cc(OCCCCCOc4cc5c(cc4OC)C(=O)NCC(=C)CC/C=N/5)c(OC)cc3C(=O)N3CC(=C)C[C@H]3C2O)C1=O)C(=O)O.

What is the InChIKey of (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

The InChIKey is GRUAPLWYPQDJQI-YKMHZASCSA-N. The full InChI is InChI=1S/C101H135N23O35S3/c1-55-12-10-23-105-64-43-73(71(151-5)41-60(64)87(137)112-49-55)157-29-8-7-9-30-158-74-47-69-61(42-72(74)152-6)93(143)123-52-56(2)40-70(123)94(144)124(69)100(150)159-54-101(3,4)162-161-39-22-78(127)107-26-25-106-77(126)21-31-153-33-35-155-37-38-156-36-34-154-32-27-108-76(125)20-28-122-80(129)48-75(95(122)145)160-53-68(97(148)149)119-91(141)67(46-83(134)135)118-90(140)66(45-82(132)133)117-88(138)62(13-11-24-109-98(102)103)115-89(139)65(44-81(130)131)114-79(128)19-18-63(96(146)147)116-86(136)57-14-16-58(17-15-57)110-50-59-51-111-85-84(113-59)92(142)121-99(104)120-85/h14-17,23,41-43,47,51,62-63,65-68,70,75,94,110,144H,1-2,7-13,18-22,24-40,44-46,48-50,52-54H2,3-6H3,(H,106,126)(H,107,127)(H,108,125)(H,112,137)(H,114,128)(H,115,139)(H,116,136)(H,117,138)(H,118,140)(H,119,141)(H,130,131)(H,132,133)(H,134,135)(H,146,147)(H,148,149)(H4,102,103,109)(H3,104,111,120,121,142)/b105-23+/t62-,63-,65-,66-,67-,68-,70-,75?,94?/m0/s1.

What are the key properties of (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid?

(2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid has a molecular weight of 2327.52 g/mol, XLogP of -0.15, 70 rotatable bonds, 22 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-[1-[3-[2-[2-[2-[2-[3-[2-[3-[[1-[(6aS)-6-hydroxy-2-methoxy-3-[5-[(10-methoxy-5-methylidene-8-oxo-3,4,6,7-tetrahydro-1,7-benzodiazecin-11-yl)oxy]pentoxy]-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxy-2-methylpropan-2-yl]disulfanyl]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 131977455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).