2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid

C167H211ClN24O64P2S4 — CID 91051437

About 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid

2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid (PubChem CID 91051437) has the molecular formula C167H211ClN24O64P2S4 and a molecular weight of 3804.30 g/mol. Its IUPAC name is 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
• PubChem CID: 91051437
• Molecular Formula: C167H211ClN24O64P2S4
• Molecular Weight: 3804.30 g/mol
• Exact Mass: 3801.20
• IUPAC Name: 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
• SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)N(CCOCC(=O)NCCOCCOCCN(CCOCCOCCOCCNC(=O)CCC(NC(=O)c1ccc(N(Cc2cnc4nc(N)[nH]c(=O)c4n2)C(=O)OCc2ccc(OP4(=O)OCCCO4)c(C(=O)OCOC(=O)CCC(=O)O)c2)cc1)C(=O)O)C(=O)COCCOCP(=O)(O)COCCOCC(=O)N(CCOCCOCCNC(=O)CCC1CC(C(=O)NO)(S(=O)(=O)c2ccc(Oc4ccc(Cl)cc4)cc2)CCO1)CCOCCOCC(=O)NCCOCCOc1ccc(S(=O)(=O)NC(CNC(=O)c2ccc4c(cnn4CCCNc4ncc[nH]4)c2)C(=O)O)cc1)c1ccccc1SSCCC(=O)N(C)C)CC3OC1CC(N2C=CCC2)C(O)C(C)O1
• InChI: InChI=1S/C167H211ClN24O64P2S4/c1-107-149(204)128(187-51-7-8-52-187)90-143(253-107)255-131-93-166(220,92-123-145(131)153(208)147-146(151(123)206)150(205)121-12-9-14-130(229-4)144(121)152(147)207)133(193)99-248-164(218)190(127-13-5-6-15-132(127)260-259-87-42-138(198)186(2)3)58-70-239-100-136(196)172-49-64-232-72-75-235-66-54-188(56-68-236-76-78-238-77-73-231-63-48-171-135(195)39-35-124(158(212)213)181-156(210)109-17-22-114(23-18-109)191(97-113-95-177-154-148(180-113)157(211)183-162(169)182-154)165(219)247-98-108-16-37-129(256-258(224)251-59-11-60-252-258)122(88-108)160(216)250-104-249-142(203)41-40-141(201)202)139(199)102-241-81-83-243-105-257(222,223)106-244-84-82-242-103-140(200)189(55-67-234-74-71-230-62-47-170-134(194)38-30-118-91-167(43-61-245-118,161(217)184-221)261(225,226)119-31-28-117(29-32-119)254-116-24-20-112(168)21-25-116)57-69-237-79-80-240-101-137(197)173-50-65-233-85-86-246-115-26-33-120(34-27-115)262(227,228)185-125(159(214)215)96-178-155(209)110-19-36-126-111(89-110)94-179-192(126)53-10-44-174-163-175-45-46-176-163/h5-7,9,12-29,31-34,36-37,45-46,51,88-89,94-95,107,118,124-125,128,131,143,149,185,204,206,208,220-221H,8,10-11,30,35,38-44,47-50,52-87,90-93,96-106H2,1-4H3,(H,170,194)(H,171,195)(H,172,196)(H,173,197)(H,178,209)(H,181,210)(H,184,217)(H,201,202)(H,212,213)(H,214,215)(H,222,223)(H2,174,175,176)(H3,169,177,182,183,211)
• InChIKey: UVMSVFZZZRPIJU-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 1156.09 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 71
• Rotatable Bonds: 116
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3804.30
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid?

The IUPAC name of 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid (CID 91051437) is 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid.

What is the SMILES notation for 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid?

The canonical SMILES for 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid is COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)N(CCOCC(=O)NCCOCCOCCN(CCOCCOCCOCCNC(=O)CCC(NC(=O)c1ccc(N(Cc2cnc4nc(N)[nH]c(=O)c4n2)C(=O)OCc2ccc(OP4(=O)OCCCO4)c(C(=O)OCOC(=O)CCC(=O)O)c2)cc1)C(=O)O)C(=O)COCCOCP(=O)(O)COCCOCC(=O)N(CCOCCOCCNC(=O)CCC1CC(C(=O)NO)(S(=O)(=O)c2ccc(Oc4ccc(Cl)cc4)cc2)CCO1)CCOCCOCC(=O)NCCOCCOc1ccc(S(=O)(=O)NC(CNC(=O)c2ccc4c(cnn4CCCNc4ncc[nH]4)c2)C(=O)O)cc1)c1ccccc1SSCCC(=O)N(C)C)CC3OC1CC(N2C=CCC2)C(O)C(C)O1.

What is the InChIKey of 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid?

The InChIKey is UVMSVFZZZRPIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C167H211ClN24O64P2S4/c1-107-149(204)128(187-51-7-8-52-187)90-143(253-107)255-131-93-166(220,92-123-145(131)153(208)147-146(151(123)206)150(205)121-12-9-14-130(229-4)144(121)152(147)207)133(193)99-248-164(218)190(127-13-5-6-15-132(127)260-259-87-42-138(198)186(2)3)58-70-239-100-136(196)172-49-64-232-72-75-235-66-54-188(56-68-236-76-78-238-77-73-231-63-48-171-135(195)39-35-124(158(212)213)181-156(210)109-17-22-114(23-18-109)191(97-113-95-177-154-148(180-113)157(211)183-162(169)182-154)165(219)247-98-108-16-37-129(256-258(224)251-59-11-60-252-258)122(88-108)160(216)250-104-249-142(203)41-40-141(201)202)139(199)102-241-81-83-243-105-257(222,223)106-244-84-82-242-103-140(200)189(55-67-234-74-71-230-62-47-170-134(194)38-30-118-91-167(43-61-245-118,161(217)184-221)261(225,226)119-31-28-117(29-32-119)254-116-24-20-112(168)21-25-116)57-69-237-79-80-240-101-137(197)173-50-65-233-85-86-246-115-26-33-120(34-27-115)262(227,228)185-125(159(214)215)96-178-155(209)110-19-36-126-111(89-110)94-179-192(126)53-10-44-174-163-175-45-46-176-163/h5-7,9,12-29,31-34,36-37,45-46,51,88-89,94-95,107,118,124-125,128,131,143,149,185,204,206,208,220-221H,8,10-11,30,35,38-44,47-50,52-87,90-93,96-106H2,1-4H3,(H,170,194)(H,171,195)(H,172,196)(H,173,197)(H,178,209)(H,181,210)(H,184,217)(H,201,202)(H,212,213)(H,214,215)(H,222,223)(H2,174,175,176)(H3,169,177,182,183,211).

What are the key properties of 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid?

2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid has a molecular weight of 3804.30 g/mol, XLogP of 7.69, 116 rotatable bonds, 21 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-5-[2-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-[2-[2-[2-[4-[[1-carboxy-2-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]ethyl]sulfamoyl]phenoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl-[2-[2-[2-[3-[4-[4-(4-chlorophenoxy)phenyl]sulfonyl-4-(hydroxycarbamoyl)oxan-2-yl]propanoylamino]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxymethyl-hydroxyphosphoryl]methoxy]ethoxy]acetyl]-[2-[2-[2-[[2-[2-[N-[2-[4-[4-(2,3-dihydropyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethoxy]carbonyl-2-[[3-(dimethylamino)-3-oxopropyl]disulfanyl]anilino]ethoxy]acetyl]amino]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 91051437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).