(4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid

C102H142N20O40S2 — CID 131977358

About (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid

(4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid (PubChem CID 131977358) has the molecular formula C102H142N20O40S2 and a molecular weight of 2352.49 g/mol. Its IUPAC name is (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 131977358
• Molecular Formula: C102H142N20O40S2
• Molecular Weight: 2352.49 g/mol
• Exact Mass: 2350.91
• IUPAC Name: (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid
• SMILES: C=C1C[C@H]2C=Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C(=O)N5COC(O)CCCSSC[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=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)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)C[C@H](O)[C@H](O)CO)NC(=O)CCCNC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)c(OC)cc3C(=O)N2C1
• InChI: InChI=1S/C102H142N20O40S2/c1-50-30-55-39-106-64-35-76(74(158-3)33-57(64)98(153)120(55)43-50)160-27-6-5-7-28-161-77-36-66-58(34-75(77)159-4)99(154)121-44-51(2)31-67(121)100(155)122(66)49-162-84(141)11-9-29-163-164-48-65(101(156)157)117-96(151)61(18-23-80(135)109-42-70(129)87(143)89(145)73(132)47-125)114-95(150)63(20-25-83(139)140)116-93(148)60(17-22-79(134)108-41-69(128)86(142)88(144)72(131)46-124)113-94(149)62(19-24-82(137)138)115-92(147)59(16-21-78(133)107-40-56(126)32-68(127)71(130)45-123)112-81(136)10-8-26-104-91(146)52-12-14-53(15-13-52)105-37-54-38-110-90-85(111-54)97(152)119-102(103)118-90/h12-15,33-36,38-39,55-56,59-63,65,67-73,84,86-89,105,123-132,141-145H,1-2,5-11,16-32,37,40-49H2,3-4H3,(H,104,146)(H,107,133)(H,108,134)(H,109,135)(H,112,136)(H,113,149)(H,114,150)(H,115,147)(H,116,148)(H,117,151)(H,137,138)(H,139,140)(H,156,157)(H3,103,110,118,119,152)/t55-,56+,59-,60-,61-,62+,63+,65+,67-,68-,69-,70-,71+,72+,73+,84?,86+,87+,88+,89+/m0/s1
• InChIKey: JDNYJVUVMKEDGU-HIBRVAKFSA-N
• XLogP: -7.43
• TPSA: 935.37 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 45
• Rotatable Bonds: 73
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2352.49
LogP ≤ 5	-7.43
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid (CID 131977358) is (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid is C=C1C[C@H]2C=Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C(=O)N5COC(O)CCCSSC[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=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)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)C[C@H](O)[C@H](O)CO)NC(=O)CCCNC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)c(OC)cc3C(=O)N2C1.

What is the InChIKey of (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is JDNYJVUVMKEDGU-HIBRVAKFSA-N. The full InChI is InChI=1S/C102H142N20O40S2/c1-50-30-55-39-106-64-35-76(74(158-3)33-57(64)98(153)120(55)43-50)160-27-6-5-7-28-161-77-36-66-58(34-75(77)159-4)99(154)121-44-51(2)31-67(121)100(155)122(66)49-162-84(141)11-9-29-163-164-48-65(101(156)157)117-96(151)61(18-23-80(135)109-42-70(129)87(143)89(145)73(132)47-125)114-95(150)63(20-25-83(139)140)116-93(148)60(17-22-79(134)108-41-69(128)86(142)88(144)72(131)46-124)113-94(149)62(19-24-82(137)138)115-92(147)59(16-21-78(133)107-40-56(126)32-68(127)71(130)45-123)112-81(136)10-8-26-104-91(146)52-12-14-53(15-13-52)105-37-54-38-110-90-85(111-54)97(152)119-102(103)118-90/h12-15,33-36,38-39,55-56,59-63,65,67-73,84,86-89,105,123-132,141-145H,1-2,5-11,16-32,37,40-49H2,3-4H3,(H,104,146)(H,107,133)(H,108,134)(H,109,135)(H,112,136)(H,113,149)(H,114,150)(H,115,147)(H,116,148)(H,117,151)(H,137,138)(H,139,140)(H,156,157)(H3,103,110,118,119,152)/t55-,56+,59-,60-,61-,62+,63+,65+,67-,68-,69-,70-,71+,72+,73+,84?,86+,87+,88+,89+/m0/s1.

What are the key properties of (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid?

(4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 2352.49 g/mol, XLogP of -7.43, 73 rotatable bonds, 31 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(1S)-2-[[4-[[(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,11-dioxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methoxy]-4-hydroxybutyl]disulfanyl]-1-carboxyethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-4-[[(2S)-2-[4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]butanoylamino]-5-oxo-5-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]pentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 131977358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).