3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid

C299H475N19O104 — CID 167594757

IUPAC3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid
SMILESCCCCC(=O)c1cc(C#CC2=Cc3nc2cc2nc(cc4cc(C#Cc5cc(C(=O)NCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)cc(C(=O)NCCNC(=O)CCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOOC)c5)c(cc5ccc([nH]5)c3-c3ccc(C(=O)NCCC(=O)O)cc3)[nH]4)C(C)(C)C2)cc(C(=O)CCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)c1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCc1cc(CNCOCCOCCOCCOCCOCCOCCC(=O)CCOCCOCCOCCOCCOCCO)cc(-c2cc3cc4nc(cc5[nH]c(cc5-c5cc(CNCOCCOCCOCCOCCOCCOCCC(=O)CCOCCOCCOCCOCCOCCO)cc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c5)c(-c5ccc(C(=O)NCCC(=O)O)cc5)c5nc(cc2[nH]3)C=C5)CC4(C)C)c1.[H]/N=C/OC=C.[H]/N=C/OC=C
InChIInChI=1S/C152H249N9O55.C141H216N8O47.2C3H5NO/c1-152(2)120-137-117-144-141(134-112-128(122-154-126-216-108-106-214-104-102-212-100-98-196-64-56-186-44-36-176-24-15-139(165)13-22-174-34-42-184-54-62-194-68-60-190-48-40-180-28-20-163)110-130(114-134)124-157-148(167)17-26-178-38-46-188-58-66-198-74-76-202-82-84-206-90-92-210-96-94-208-88-86-204-80-78-200-72-70-192-52-50-182-32-30-172-4)119-145(161-144)150(131-5-7-132(8-6-131)151(170)155-18-11-149(168)169)142-10-9-135(158-142)116-143-140(115-136(159-143)118-146(152)160-137)133-111-127(121-153-125-215-107-105-213-103-101-211-99-97-195-63-55-185-43-35-175-23-14-138(164)12-21-173-33-41-183-53-61-193-67-59-189-47-39-179-27-19-162)109-129(113-133)123-156-147(166)16-25-177-37-45-187-57-65-197-73-75-201-81-83-205-89-91-209-95-93-207-87-85-203-79-77-199-71-69-191-51-49-181-31-29-171-3;1-7-10-16-132(150)121-103-115(104-122(107-121)133(151)17-11-14-35-193-195-101-98-190-95-92-187-89-86-184-83-80-181-77-74-178-71-67-174-63-61-171-57-55-168-51-49-165-45-43-162-39-37-159-8-2)20-22-120-110-131-137(117-23-25-118(26-24-117)138(155)144-31-29-136(153)154)128-28-27-125(146-128)111-129-119(109-126(147-129)113-134-141(4,5)114-127(148-134)112-130(120)149-131)21-19-116-105-123(139(156)143-30-15-36-194-196-102-99-191-96-93-188-90-87-185-84-81-182-78-75-179-72-68-175-64-62-172-58-56-169-52-50-166-46-44-163-40-38-160-9-3)108-124(106-116)140(157)145-33-32-142-135(152)18-12-13-34-161-41-42-164-47-48-167-53-54-170-59-60-173-65-66-176-69-70-177-73-76-180-79-82-183-85-88-186-91-94-189-97-100-192-158-6;2*1-2-5-3-4/h5-10,109-119,153-154,159,161-163H,11-108,120-126H2,1-4H3,(H,155,170)(H,156,166)(H,157,167)(H,168,169);23-28,103-113,146-147H,7-18,29-102,114H2,1-6H3,(H,142,152)(H,143,156)(H,144,155)(H,145,157)(H,153,154);2*2-4H,1H2/b135-116-,136-118-,137-117-,143-116-,144-117-,146-118-,150-142-,150-145-;125-111-,126-113-,127-112-,129-111-,130-112-,134-113-,137-128-,137-131-;2*4-3+
InChIKeyGOZUKHFQGMVPLA-KLHJZEHXSA-N
MW6000.12 g/mol
LogP21.15
Rot. Bonds298

About 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid

3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid (PubChem CID 167594757) has the molecular formula C299H475N19O104 and a molecular weight of 6000.12 g/mol. Its IUPAC name is 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid
PubChem CID167594757
Molecular FormulaC299H475N19O104
Molecular Weight6000.12 g/mol
Exact Mass5996.25
IUPAC Name3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid
SMILESCCCCC(=O)c1cc(C#CC2=Cc3nc2cc2nc(cc4cc(C#Cc5cc(C(=O)NCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)cc(C(=O)NCCNC(=O)CCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOOC)c5)c(cc5ccc([nH]5)c3-c3ccc(C(=O)NCCC(=O)O)cc3)[nH]4)C(C)(C)C2)cc(C(=O)CCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)c1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCc1cc(CNCOCCOCCOCCOCCOCCOCCC(=O)CCOCCOCCOCCOCCOCCO)cc(-c2cc3cc4nc(cc5[nH]c(cc5-c5cc(CNCOCCOCCOCCOCCOCCOCCC(=O)CCOCCOCCOCCOCCOCCO)cc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c5)c(-c5ccc(C(=O)NCCC(=O)O)cc5)c5nc(cc2[nH]3)C=C5)CC4(C)C)c1.[H]/N=C/OC=C.[H]/N=C/OC=C
InChIInChI=1S/C152H249N9O55.C141H216N8O47.2C3H5NO/c1-152(2)120-137-117-144-141(134-112-128(122-154-126-216-108-106-214-104-102-212-100-98-196-64-56-186-44-36-176-24-15-139(165)13-22-174-34-42-184-54-62-194-68-60-190-48-40-180-28-20-163)110-130(114-134)124-157-148(167)17-26-178-38-46-188-58-66-198-74-76-202-82-84-206-90-92-210-96-94-208-88-86-204-80-78-200-72-70-192-52-50-182-32-30-172-4)119-145(161-144)150(131-5-7-132(8-6-131)151(170)155-18-11-149(168)169)142-10-9-135(158-142)116-143-140(115-136(159-143)118-146(152)160-137)133-111-127(121-153-125-215-107-105-213-103-101-211-99-97-195-63-55-185-43-35-175-23-14-138(164)12-21-173-33-41-183-53-61-193-67-59-189-47-39-179-27-19-162)109-129(113-133)123-156-147(166)16-25-177-37-45-187-57-65-197-73-75-201-81-83-205-89-91-209-95-93-207-87-85-203-79-77-199-71-69-191-51-49-181-31-29-171-3;1-7-10-16-132(150)121-103-115(104-122(107-121)133(151)17-11-14-35-193-195-101-98-190-95-92-187-89-86-184-83-80-181-77-74-178-71-67-174-63-61-171-57-55-168-51-49-165-45-43-162-39-37-159-8-2)20-22-120-110-131-137(117-23-25-118(26-24-117)138(155)144-31-29-136(153)154)128-28-27-125(146-128)111-129-119(109-126(147-129)113-134-141(4,5)114-127(148-134)112-130(120)149-131)21-19-116-105-123(139(156)143-30-15-36-194-196-102-99-191-96-93-188-90-87-185-84-81-182-78-75-179-72-68-175-64-62-172-58-56-169-52-50-166-46-44-163-40-38-160-9-3)108-124(106-116)140(157)145-33-32-142-135(152)18-12-13-34-161-41-42-164-47-48-167-53-54-170-59-60-173-65-66-176-69-70-177-73-76-180-79-82-183-85-88-186-91-94-189-97-100-192-158-6;2*1-2-5-3-4/h5-10,109-119,153-154,159,161-163H,11-108,120-126H2,1-4H3,(H,155,170)(H,156,166)(H,157,167)(H,168,169);23-28,103-113,146-147H,7-18,29-102,114H2,1-6H3,(H,142,152)(H,143,156)(H,144,155)(H,145,157)(H,153,154);2*2-4H,1H2/b135-116-,136-118-,137-117-,143-116-,144-117-,146-118-,150-142-,150-145-;125-111-,126-113-,127-112-,129-111-,130-112-,134-113-,137-128-,137-131-;2*4-3+
InChIKeyGOZUKHFQGMVPLA-KLHJZEHXSA-N
XLogP21.15
TPSA1376.53 Ų
H-Bond Donors19
H-Bond Acceptors110
Rotatable Bonds298
Heavy Atoms422
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006000.12
LogP ≤ 521.15
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 10110

Analyze 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid (CID 167594757) is 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid is CCCCC(=O)c1cc(C#CC2=Cc3nc2cc2nc(cc4cc(C#Cc5cc(C(=O)NCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)cc(C(=O)NCCNC(=O)CCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOOC)c5)c(cc5ccc([nH]5)c3-c3ccc(C(=O)NCCC(=O)O)cc3)[nH]4)C(C)(C)C2)cc(C(=O)CCCCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)c1.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCc1cc(CNCOCCOCCOCCOCCOCCOCCC(=O)CCOCCOCCOCCOCCOCCO)cc(-c2cc3cc4nc(cc5[nH]c(cc5-c5cc(CNCOCCOCCOCCOCCOCCOCCC(=O)CCOCCOCCOCCOCCOCCO)cc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c5)c(-c5ccc(C(=O)NCCC(=O)O)cc5)c5nc(cc2[nH]3)C=C5)CC4(C)C)c1.[H]/N=C/OC=C.[H]/N=C/OC=C.
What is the InChIKey of 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid?
The InChIKey is GOZUKHFQGMVPLA-KLHJZEHXSA-N. The full InChI is InChI=1S/C152H249N9O55.C141H216N8O47.2C3H5NO/c1-152(2)120-137-117-144-141(134-112-128(122-154-126-216-108-106-214-104-102-212-100-98-196-64-56-186-44-36-176-24-15-139(165)13-22-174-34-42-184-54-62-194-68-60-190-48-40-180-28-20-163)110-130(114-134)124-157-148(167)17-26-178-38-46-188-58-66-198-74-76-202-82-84-206-90-92-210-96-94-208-88-86-204-80-78-200-72-70-192-52-50-182-32-30-172-4)119-145(161-144)150(131-5-7-132(8-6-131)151(170)155-18-11-149(168)169)142-10-9-135(158-142)116-143-140(115-136(159-143)118-146(152)160-137)133-111-127(121-153-125-215-107-105-213-103-101-211-99-97-195-63-55-185-43-35-175-23-14-138(164)12-21-173-33-41-183-53-61-193-67-59-189-47-39-179-27-19-162)109-129(113-133)123-156-147(166)16-25-177-37-45-187-57-65-197-73-75-201-81-83-205-89-91-209-95-93-207-87-85-203-79-77-199-71-69-191-51-49-181-31-29-171-3;1-7-10-16-132(150)121-103-115(104-122(107-121)133(151)17-11-14-35-193-195-101-98-190-95-92-187-89-86-184-83-80-181-77-74-178-71-67-174-63-61-171-57-55-168-51-49-165-45-43-162-39-37-159-8-2)20-22-120-110-131-137(117-23-25-118(26-24-117)138(155)144-31-29-136(153)154)128-28-27-125(146-128)111-129-119(109-126(147-129)113-134-141(4,5)114-127(148-134)112-130(120)149-131)21-19-116-105-123(139(156)143-30-15-36-194-196-102-99-191-96-93-188-90-87-185-84-81-182-78-75-179-72-68-175-64-62-172-58-56-169-52-50-166-46-44-163-40-38-160-9-3)108-124(106-116)140(157)145-33-32-142-135(152)18-12-13-34-161-41-42-164-47-48-167-53-54-170-59-60-173-65-66-176-69-70-177-73-76-180-79-82-183-85-88-186-91-94-189-97-100-192-158-6;2*1-2-5-3-4/h5-10,109-119,153-154,159,161-163H,11-108,120-126H2,1-4H3,(H,155,170)(H,156,166)(H,157,167)(H,168,169);23-28,103-113,146-147H,7-18,29-102,114H2,1-6H3,(H,142,152)(H,143,156)(H,144,155)(H,145,157)(H,153,154);2*2-4H,1H2/b135-116-,136-118-,137-117-,143-116-,144-117-,146-118-,150-142-,150-145-;125-111-,126-113-,127-112-,129-111-,130-112-,134-113-,137-128-,137-131-;2*4-3+.
What are the key properties of 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid?
3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid has a molecular weight of 6000.12 g/mol, XLogP of 21.15, 298 rotatable bonds, 19 hydrogen bond donors, and 110 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[8,18-bis[3-[[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]methyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]-13,13-dimethyl-22,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid;ethenyl methanimidate;3-[[4-[8-[2-[3-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]pentanoyl]-5-pentanoylphenyl]ethynyl]-18-[2-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]propylcarbamoyl]-5-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoylamino]ethylcarbamoyl]phenyl]ethynyl]-13,13-dimethyl-21,24-dihydro-12H-porphyrin-5-yl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 167594757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).