N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide

C107H135N53O27 — CID 50990907

IUPACN-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide
SMILESCc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cc2ccc(-c3ccccn3)nc2)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N[C@H](C=O)CCCCN)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]c1=O
InChIInChI=1S/C107H135N53O27/c1-62-38-156(107(187)143-97(62)180)51-83(175)148(43-74(166)124-22-34-151(87(179)55-160-61-132-91-96(160)139-103(116)142-100(91)183)46-77(169)122-18-30-147(81(173)49-154-25-11-68(111)135-105(154)185)42-73(165)125-23-35-152(47-78(170)133-64(56-161)6-2-4-13-108)82(174)50-155-26-12-69(112)136-106(155)186)31-19-120-71(163)40-145(79(171)36-63-8-9-66(126-37-63)65-7-3-5-15-117-65)28-16-118-75(167)44-149(85(177)52-157-58-129-88-92(113)127-57-128-93(88)157)32-21-123-72(164)41-146(80(172)48-153-24-10-67(110)134-104(153)184)29-17-121-76(168)45-150(86(178)54-159-60-131-90-95(159)138-102(115)141-99(90)182)33-20-119-70(162)39-144(27-14-109)84(176)53-158-59-130-89-94(158)137-101(114)140-98(89)181/h3,5,7-12,15,24-26,37-38,56-61,64H,2,4,6,13-14,16-23,27-36,39-55,108-109H2,1H3,(H,118,167)(H,119,162)(H,120,163)(H,121,168)(H,122,169)(H,123,164)(H,124,166)(H,125,165)(H,133,170)(H2,110,134,184)(H2,111,135,185)(H2,112,136,186)(H2,113,127,128)(H,143,180,187)(H3,114,137,140,181)(H3,115,138,141,182)(H3,116,139,142,183)/t64-/m0/s1
InChIKeyLNIODZJAIFIHFU-JVUALNACSA-N
MW2595.60 g/mol
LogP-17.21
Rot. Bonds69

About N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide

N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide (PubChem CID 50990907) has the molecular formula C107H135N53O27 and a molecular weight of 2595.60 g/mol. Its IUPAC name is N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide
PubChem CID50990907
Molecular FormulaC107H135N53O27
Molecular Weight2595.60 g/mol
Exact Mass2594.08
IUPAC NameN-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide
SMILESCc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cc2ccc(-c3ccccn3)nc2)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N[C@H](C=O)CCCCN)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]c1=O
InChIInChI=1S/C107H135N53O27/c1-62-38-156(107(187)143-97(62)180)51-83(175)148(43-74(166)124-22-34-151(87(179)55-160-61-132-91-96(160)139-103(116)142-100(91)183)46-77(169)122-18-30-147(81(173)49-154-25-11-68(111)135-105(154)185)42-73(165)125-23-35-152(47-78(170)133-64(56-161)6-2-4-13-108)82(174)50-155-26-12-69(112)136-106(155)186)31-19-120-71(163)40-145(79(171)36-63-8-9-66(126-37-63)65-7-3-5-15-117-65)28-16-118-75(167)44-149(85(177)52-157-58-129-88-92(113)127-57-128-93(88)157)32-21-123-72(164)41-146(80(172)48-153-24-10-67(110)134-104(153)184)29-17-121-76(168)45-150(86(178)54-159-60-131-90-95(159)138-102(115)141-99(90)182)33-20-119-70(162)39-144(27-14-109)84(176)53-158-59-130-89-94(158)137-101(114)140-98(89)181/h3,5,7-12,15,24-26,37-38,56-61,64H,2,4,6,13-14,16-23,27-36,39-55,108-109H2,1H3,(H,118,167)(H,119,162)(H,120,163)(H,121,168)(H,122,169)(H,123,164)(H,124,166)(H,125,165)(H,133,170)(H2,110,134,184)(H2,111,135,185)(H2,112,136,186)(H2,113,127,128)(H,143,180,187)(H3,114,137,140,181)(H3,115,138,141,182)(H3,116,139,142,183)/t64-/m0/s1
InChIKeyLNIODZJAIFIHFU-JVUALNACSA-N
XLogP-17.21
TPSA1115.56 Ų
H-Bond Donors22
H-Bond Acceptors58
Rotatable Bonds69
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002595.60
LogP ≤ 5-17.21
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 57394933
(2S)-1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768631
(3S)-3-methyl-5-[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-[[(3S)-oxolan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 131964801
(3S)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-3-[[(3S)-oxolan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 131964835
6-phenyl-N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]pyridine-2-carboxamide
CID 137656681
N-[5-cyano-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 168298181
7-cycloheptyl-2-[[5-(2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 53379014
US11071730, Example 161
CID 146639989
US11071730, Example 160
CID 146640060
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)(4-methylpiperazin-1-yl)methanone
CID 44432177
2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(3-morpholinopropyl)-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44432183

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide?
The IUPAC name of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide (CID 50990907) is N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide is Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cc2ccc(-c3ccccn3)nc2)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N[C@H](C=O)CCCCN)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide?
The InChIKey is LNIODZJAIFIHFU-JVUALNACSA-N. The full InChI is InChI=1S/C107H135N53O27/c1-62-38-156(107(187)143-97(62)180)51-83(175)148(43-74(166)124-22-34-151(87(179)55-160-61-132-91-96(160)139-103(116)142-100(91)183)46-77(169)122-18-30-147(81(173)49-154-25-11-68(111)135-105(154)185)42-73(165)125-23-35-152(47-78(170)133-64(56-161)6-2-4-13-108)82(174)50-155-26-12-69(112)136-106(155)186)31-19-120-71(163)40-145(79(171)36-63-8-9-66(126-37-63)65-7-3-5-15-117-65)28-16-118-75(167)44-149(85(177)52-157-58-129-88-92(113)127-57-128-93(88)157)32-21-123-72(164)41-146(80(172)48-153-24-10-67(110)134-104(153)184)29-17-121-76(168)45-150(86(178)54-159-60-131-90-95(159)138-102(115)141-99(90)182)33-20-119-70(162)39-144(27-14-109)84(176)53-158-59-130-89-94(158)137-101(114)140-98(89)181/h3,5,7-12,15,24-26,37-38,56-61,64H,2,4,6,13-14,16-23,27-36,39-55,108-109H2,1H3,(H,118,167)(H,119,162)(H,120,163)(H,121,168)(H,122,169)(H,123,164)(H,124,166)(H,125,165)(H,133,170)(H2,110,134,184)(H2,111,135,185)(H2,112,136,186)(H2,113,127,128)(H,143,180,187)(H3,114,137,140,181)(H3,115,138,141,182)(H3,116,139,142,183)/t64-/m0/s1.
What are the key properties of N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide?
N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide has a molecular weight of 2595.60 g/mol, XLogP of -17.21, 69 rotatable bonds, 22 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-N-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(6-pyridin-2-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 50990907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).