2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid

C165H230N32O62P2 — CID 59080910

About 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid

2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid (PubChem CID 59080910) has the molecular formula C165H230N32O62P2 and a molecular weight of 3715.76 g/mol. Its IUPAC name is 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid.

Molecular Properties

• Compound Name: 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid
• PubChem CID: 59080910
• Molecular Formula: C165H230N32O62P2
• Molecular Weight: 3715.76 g/mol
• Exact Mass: 3713.53
• IUPAC Name: 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid
• SMILES: [H]/N=C(\N)NCCCC(NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCNC(=O)C(CC(=O)NCCOCCOCCOCCNC(=O)CCP(=O)(O)CC(CCC(=O)O)C(=O)O)NC(=O)COCCOCCOCCOCC(=O)NC(CC(=O)NCCOCCOCCNC(=O)CCC(NC(=O)c1ccc(N(Cc2cnc3nc(N)nc(O)c3n2)C(=O)OCc2ccc(OP3(=O)OCCCO3)c(C(=O)OCOC(=O)CCC(=O)O)c2)cc1)C(=O)O)C(=O)NCCOCCOCCOCCNC(=O)CCNC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)NCCNC(=O)CCC(C(=O)O)N2Cc3cc(NCc4ccc5ccc6nc(C)[nH]c(=O)c6c5c4)ccc3C2=O)C1=O)C(C)CC)C(N)=O
• InChI: InChI=1S/C165H230N32O62P2/c1-8-99(2)142(155(225)183-90-134(208)190-123(93-198)153(223)191-118(147(166)218)11-9-39-180-162(167)168)193-152(222)120(83-103-13-24-113(199)25-14-103)187-130(204)37-52-239-60-68-247-72-66-245-58-48-178-151(221)122(86-132(206)176-47-57-244-65-71-248-70-64-242-55-45-174-129(203)38-80-260(236,237)97-108(158(228)229)20-33-137(211)212)189-136(210)96-253-79-77-251-75-74-250-76-78-252-95-135(209)188-121(85-131(205)175-46-56-243-62-61-240-53-43-172-126(200)31-28-119(159(230)231)192-149(219)107-17-22-112(23-18-107)196(92-111-89-182-148-144(186-111)156(226)195-163(169)194-148)164(235)254-94-105-15-30-125(259-261(238)257-50-10-51-258-261)116(82-105)161(234)256-98-255-139(215)35-34-138(213)214)150(220)179-49-59-246-67-73-249-69-63-241-54-44-173-128(202)36-40-177-143-101(4)145(216)100(3)141(146(143)217)165(6,7)87-133(207)171-42-41-170-127(201)32-29-124(160(232)233)197-91-109-84-110(21-26-114(109)157(197)227)181-88-104-12-16-106-19-27-117-140(115(106)81-104)154(224)185-102(5)184-117/h12-19,21-27,30,81-82,84,89,99,108,118-124,142,177,181,198-199H,8-11,20,28-29,31-80,83,85-88,90-98H2,1-7H3,(H2,166,218)(H,170,201)(H,171,207)(H,172,200)(H,173,202)(H,174,203)(H,175,205)(H,176,206)(H,178,221)(H,179,220)(H,183,225)(H,187,204)(H,188,209)(H,189,210)(H,190,208)(H,191,223)(H,192,219)(H,193,222)(H,211,212)(H,213,214)(H,228,229)(H,230,231)(H,232,233)(H,236,237)(H4,167,168,180)(H,184,185,224)(H3,169,182,194,195,226)
• InChIKey: KJFGBDWSVWRLEE-UHFFFAOYSA-N
• XLogP: -2.75
• TPSA: 1351.37 Ų
• H-Bond Donors: 34
• H-Bond Acceptors: 65
• Rotatable Bonds: 131
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3715.76
LogP ≤ 5	-2.75
H-Bond Donors ≤ 5	34
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid?

The IUPAC name of 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid (CID 59080910) is 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid.

What is the SMILES notation for 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid?

The canonical SMILES for 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid is [H]/N=C(\N)NCCCC(NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCOCCOCCOCCNC(=O)C(CC(=O)NCCOCCOCCOCCNC(=O)CCP(=O)(O)CC(CCC(=O)O)C(=O)O)NC(=O)COCCOCCOCCOCC(=O)NC(CC(=O)NCCOCCOCCNC(=O)CCC(NC(=O)c1ccc(N(Cc2cnc3nc(N)nc(O)c3n2)C(=O)OCc2ccc(OP3(=O)OCCCO3)c(C(=O)OCOC(=O)CCC(=O)O)c2)cc1)C(=O)O)C(=O)NCCOCCOCCOCCNC(=O)CCNC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)NCCNC(=O)CCC(C(=O)O)N2Cc3cc(NCc4ccc5ccc6nc(C)[nH]c(=O)c6c5c4)ccc3C2=O)C1=O)C(C)CC)C(N)=O.

What is the InChIKey of 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid?

The InChIKey is KJFGBDWSVWRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H230N32O62P2/c1-8-99(2)142(155(225)183-90-134(208)190-123(93-198)153(223)191-118(147(166)218)11-9-39-180-162(167)168)193-152(222)120(83-103-13-24-113(199)25-14-103)187-130(204)37-52-239-60-68-247-72-66-245-58-48-178-151(221)122(86-132(206)176-47-57-244-65-71-248-70-64-242-55-45-174-129(203)38-80-260(236,237)97-108(158(228)229)20-33-137(211)212)189-136(210)96-253-79-77-251-75-74-250-76-78-252-95-135(209)188-121(85-131(205)175-46-56-243-62-61-240-53-43-172-126(200)31-28-119(159(230)231)192-149(219)107-17-22-112(23-18-107)196(92-111-89-182-148-144(186-111)156(226)195-163(169)194-148)164(235)254-94-105-15-30-125(259-261(238)257-50-10-51-258-261)116(82-105)161(234)256-98-255-139(215)35-34-138(213)214)150(220)179-49-59-246-67-73-249-69-63-241-54-44-173-128(202)36-40-177-143-101(4)145(216)100(3)141(146(143)217)165(6,7)87-133(207)171-42-41-170-127(201)32-29-124(160(232)233)197-91-109-84-110(21-26-114(109)157(197)227)181-88-104-12-16-106-19-27-117-140(115(106)81-104)154(224)185-102(5)184-117/h12-19,21-27,30,81-82,84,89,99,108,118-124,142,177,181,198-199H,8-11,20,28-29,31-80,83,85-88,90-98H2,1-7H3,(H2,166,218)(H,170,201)(H,171,207)(H,172,200)(H,173,202)(H,174,203)(H,175,205)(H,176,206)(H,178,221)(H,179,220)(H,183,225)(H,187,204)(H,188,209)(H,189,210)(H,190,208)(H,191,223)(H,192,219)(H,193,222)(H,211,212)(H,213,214)(H,228,229)(H,230,231)(H,232,233)(H,236,237)(H4,167,168,180)(H,184,185,224)(H3,169,182,194,195,226).

What are the key properties of 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid?

2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid has a molecular weight of 3715.76 g/mol, XLogP of -2.75, 131 rotatable bonds, 34 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[3-[2-[2-[2-[2-[[4-[2-[2-[2-[3-[[1-[[1-[[2-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-[[2-[2-[2-[2-[2-[[4-[2-[2-[2-[[4-[[4-[(2-amino-4-hydroxypteridin-6-yl)methyl-[[3-(3-carboxypropanoyloxymethoxycarbonyl)-4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]methoxycarbonyl]amino]benzoyl]amino]-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethylamino]-1-[2-[2-[2-[2-[3-[[5-[4-[2-[[4-carboxy-4-[6-[(3-methyl-1-oxo-2H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]butanoyl]amino]ethylamino]-2-methyl-4-oxobutan-2-yl]-2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1,4-dioxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-hydroxyphosphoryl]methyl]pentanedioic acid is sourced from PubChem (CID 59080910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).