(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))

C211H214Co3N24O32 — CID 158370965

IUPAC(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)[C@@H]6CCCO6)cccc5NC(=O)[C@@H]5CCCO5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.COCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1-c1c2nc(c(-c3c(OC)cccc3OC)c3ccc([n-]3)c(-c3c(NC(=O)[C@H](C)OC)cccc3NC(=O)[C@H](C)OC)c3nc(c(-c4c(OC)cccc4OC)c4ccc1[n-]4)C=C3)C=C2.COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)[C@@H]4CCCO4)cccc3NC(=O)[C@@H]3CCCO3)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc1[n-]4)C=C3)C=C2.[Co+2].[Co+2].[Co+2]
InChIInChI=1S/C80H90N8O8.C68H66N8O12.C63H64N8O12.3Co/c1-77(2,3)47-39-45(40-48(43-47)78(4,5)6)67-55-27-31-59(81-55)71(69-51(85-73(89)63-23-15-35-93-63)19-13-20-52(69)86-74(90)64-24-16-36-94-64)61-33-29-57(83-61)68(46-41-49(79(7,8)9)44-50(42-46)80(10,11)12)58-30-34-62(84-58)72(60-32-28-56(67)82-60)70-53(87-75(91)65-25-17-37-95-65)21-14-22-54(70)88-76(92)66-26-18-38-96-66;1-81-49-17-7-18-50(82-2)63(49)61-45-29-25-41(69-45)59(57-37(73-65(77)53-21-9-33-85-53)13-5-14-38(57)74-66(78)54-22-10-34-86-54)43-27-31-47(71-43)62(64-51(83-3)19-8-20-52(64)84-4)48-32-28-44(72-48)60(42-26-30-46(61)70-42)58-39(75-67(79)55-23-11-35-87-55)15-6-16-40(58)76-68(80)56-24-12-36-88-56;1-33(77-5)61(73)69-37-17-12-16-36(68-52(72)32-76-4)53(37)55-40-24-28-44(64-40)57(59-48(80-8)20-14-21-49(59)81-9)46-30-26-42(66-46)56(54-38(70-62(74)34(2)78-6)18-13-19-39(54)71-63(75)35(3)79-7)43-27-31-47(67-43)58(45-29-25-41(55)65-45)60-50(82-10)22-15-23-51(60)83-11;;;/h13-14,19-22,27-34,39-44,63-66H,15-18,23-26,35-38H2,1-12H3,(H6,81,82,83,84,85,86,87,88,89,90,91,92);5-8,13-20,25-32,53-56H,9-12,21-24,33-36H2,1-4H3,(H6,69,70,71,72,73,74,75,76,77,78,79,80);12-31,33-35H,32H2,1-11H3,(H6,64,65,66,67,68,69,70,71,72,73,74,75);;;/q;;;3*+2/p-6/b67-55-,67-56-,68-57-,68-58-,71-59+,71-61+,72-60+,72-62+;59-41+,59-43+,60-42+,60-44+,61-45+,61-46+,62-47+,62-48+;55-40+,55-41+,56-42+,56-43+,57-44+,57-46+,58-45+,58-47+;;;/t63-,64-,65-,66-;53-,54-,55-,56-;33-,34-,35-;;;/m000.../s1
InChIKeyGUPKFRPBTBZWOF-ILHUOWCJSA-H
MW3774.97 g/mol
LogP37.44
Rot. Bonds48

About (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))

(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)) (PubChem CID 158370965) has the molecular formula C211H214Co3N24O32 and a molecular weight of 3774.97 g/mol. Its IUPAC name is (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)).

Molecular Properties

Compound Name(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))
PubChem CID158370965
Molecular FormulaC211H214Co3N24O32
Molecular Weight3774.97 g/mol
Exact Mass3772.39
IUPAC Name(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)[C@@H]6CCCO6)cccc5NC(=O)[C@@H]5CCCO5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.COCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1-c1c2nc(c(-c3c(OC)cccc3OC)c3ccc([n-]3)c(-c3c(NC(=O)[C@H](C)OC)cccc3NC(=O)[C@H](C)OC)c3nc(c(-c4c(OC)cccc4OC)c4ccc1[n-]4)C=C3)C=C2.COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)[C@@H]4CCCO4)cccc3NC(=O)[C@@H]3CCCO3)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc1[n-]4)C=C3)C=C2.[Co+2].[Co+2].[Co+2]
InChIInChI=1S/C80H90N8O8.C68H66N8O12.C63H64N8O12.3Co/c1-77(2,3)47-39-45(40-48(43-47)78(4,5)6)67-55-27-31-59(81-55)71(69-51(85-73(89)63-23-15-35-93-63)19-13-20-52(69)86-74(90)64-24-16-36-94-64)61-33-29-57(83-61)68(46-41-49(79(7,8)9)44-50(42-46)80(10,11)12)58-30-34-62(84-58)72(60-32-28-56(67)82-60)70-53(87-75(91)65-25-17-37-95-65)21-14-22-54(70)88-76(92)66-26-18-38-96-66;1-81-49-17-7-18-50(82-2)63(49)61-45-29-25-41(69-45)59(57-37(73-65(77)53-21-9-33-85-53)13-5-14-38(57)74-66(78)54-22-10-34-86-54)43-27-31-47(71-43)62(64-51(83-3)19-8-20-52(64)84-4)48-32-28-44(72-48)60(42-26-30-46(61)70-42)58-39(75-67(79)55-23-11-35-87-55)15-6-16-40(58)76-68(80)56-24-12-36-88-56;1-33(77-5)61(73)69-37-17-12-16-36(68-52(72)32-76-4)53(37)55-40-24-28-44(64-40)57(59-48(80-8)20-14-21-49(59)81-9)46-30-26-42(66-46)56(54-38(70-62(74)34(2)78-6)18-13-19-39(54)71-63(75)35(3)79-7)43-27-31-47(67-43)58(45-29-25-41(55)65-45)60-50(82-10)22-15-23-51(60)83-11;;;/h13-14,19-22,27-34,39-44,63-66H,15-18,23-26,35-38H2,1-12H3,(H6,81,82,83,84,85,86,87,88,89,90,91,92);5-8,13-20,25-32,53-56H,9-12,21-24,33-36H2,1-4H3,(H6,69,70,71,72,73,74,75,76,77,78,79,80);12-31,33-35H,32H2,1-11H3,(H6,64,65,66,67,68,69,70,71,72,73,74,75);;;/q;;;3*+2/p-6/b67-55-,67-56-,68-57-,68-58-,71-59+,71-61+,72-60+,72-62+;59-41+,59-43+,60-42+,60-44+,61-45+,61-46+,62-47+,62-48+;55-40+,55-41+,56-42+,56-43+,57-44+,57-46+,58-45+,58-47+;;;/t63-,64-,65-,66-;53-,54-,55-,56-;33-,34-,35-;;;/m000.../s1
InChIKeyGUPKFRPBTBZWOF-ILHUOWCJSA-H
XLogP37.44
TPSA695.74 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003774.97
LogP ≤ 537.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)) with MolForge

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Related Compounds

(2S)-N-[2-[10,20-bis(3,5-ditert-butylphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;tris(cobalt(2+));methane
CID 161467360
N-[2-[15-[2,6-bis(oxolane-2-carbonylamino)phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-(oxolane-2-carbonylamino)phenyl]oxolane-2-carboxamide;cobalt(2+)
CID 59403751
N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[15-[2,6-bis(2-methoxypropanoylamino)phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-(2-methoxypropanoylamino)phenyl]-2-methoxypropanamide;tris(cobalt(2+))
CID 158036265
N-[2-[15-[2,6-bis(oxolane-2-carbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-(oxolane-2-carbonylamino)phenyl]oxolane-2-carboxamide;cobalt;cobalt(2+);1λ5,2,3λ5,4,5,6-hexaphosphatetracyclo[1.1.1.11,3.01,3]hexane
CID 158654365
(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;cobalt(2+)
CID 11251907
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
(1R)-N-[2-[10,20-bis(4-acetylphenyl)-15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;cobalt(2+)
CID 59773182
N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis[3,5-bis(2,4,6-trimethylphenyl)phenyl]-1H-porphyrin-21,22,24-triid-5-yl]-3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[15-[2,6-bis(2-methoxypropanoylamino)phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-(2-methoxypropanoylamino)phenyl]-2-methoxypropanamide;cobalt(2+);bis(cobalt(3+));sulfane
CID 158345258
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-(3-acetamido-2-tert-butylphenyl)acetamide;N-(3-benzamido-2-tert-butylphenyl)benzamide;(1S)-N-[2-tert-butyl-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-tert-butyl-3-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;N-[2-tert-butyl-3-(2-methylpropanoylamino)phenyl]-2-methylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;N-[2-tert-butyl-3-(propanoylamino)phenyl]propanamide
CID 160601489
N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 140575218
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))?
The IUPAC name of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)) (CID 158370965) is (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)).
What is the SMILES notation for (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))?
The canonical SMILES for (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)) is CC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)[C@@H]6CCCO6)cccc5NC(=O)[C@@H]5CCCO5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.COCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1-c1c2nc(c(-c3c(OC)cccc3OC)c3ccc([n-]3)c(-c3c(NC(=O)[C@H](C)OC)cccc3NC(=O)[C@H](C)OC)c3nc(c(-c4c(OC)cccc4OC)c4ccc1[n-]4)C=C3)C=C2.COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)[C@@H]4CCCO4)cccc3NC(=O)[C@@H]3CCCO3)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc1[n-]4)C=C3)C=C2.[Co+2].[Co+2].[Co+2].
What is the InChIKey of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))?
The InChIKey is GUPKFRPBTBZWOF-ILHUOWCJSA-H. The full InChI is InChI=1S/C80H90N8O8.C68H66N8O12.C63H64N8O12.3Co/c1-77(2,3)47-39-45(40-48(43-47)78(4,5)6)67-55-27-31-59(81-55)71(69-51(85-73(89)63-23-15-35-93-63)19-13-20-52(69)86-74(90)64-24-16-36-94-64)61-33-29-57(83-61)68(46-41-49(79(7,8)9)44-50(42-46)80(10,11)12)58-30-34-62(84-58)72(60-32-28-56(67)82-60)70-53(87-75(91)65-25-17-37-95-65)21-14-22-54(70)88-76(92)66-26-18-38-96-66;1-81-49-17-7-18-50(82-2)63(49)61-45-29-25-41(69-45)59(57-37(73-65(77)53-21-9-33-85-53)13-5-14-38(57)74-66(78)54-22-10-34-86-54)43-27-31-47(71-43)62(64-51(83-3)19-8-20-52(64)84-4)48-32-28-44(72-48)60(42-26-30-46(61)70-42)58-39(75-67(79)55-23-11-35-87-55)15-6-16-40(58)76-68(80)56-24-12-36-88-56;1-33(77-5)61(73)69-37-17-12-16-36(68-52(72)32-76-4)53(37)55-40-24-28-44(64-40)57(59-48(80-8)20-14-21-49(59)81-9)46-30-26-42(66-46)56(54-38(70-62(74)34(2)78-6)18-13-19-39(54)71-63(75)35(3)79-7)43-27-31-47(67-43)58(45-29-25-41(55)65-45)60-50(82-10)22-15-23-51(60)83-11;;;/h13-14,19-22,27-34,39-44,63-66H,15-18,23-26,35-38H2,1-12H3,(H6,81,82,83,84,85,86,87,88,89,90,91,92);5-8,13-20,25-32,53-56H,9-12,21-24,33-36H2,1-4H3,(H6,69,70,71,72,73,74,75,76,77,78,79,80);12-31,33-35H,32H2,1-11H3,(H6,64,65,66,67,68,69,70,71,72,73,74,75);;;/q;;;3*+2/p-6/b67-55-,67-56-,68-57-,68-58-,71-59+,71-61+,72-60+,72-62+;59-41+,59-43+,60-42+,60-44+,61-45+,61-46+,62-47+,62-48+;55-40+,55-41+,56-42+,56-43+,57-44+,57-46+,58-45+,58-47+;;;/t63-,64-,65-,66-;53-,54-,55-,56-;33-,34-,35-;;;/m000.../s1.
What are the key properties of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))?
(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)) has a molecular weight of 3774.97 g/mol, XLogP of 37.44, 48 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+)) is sourced from PubChem (CID 158370965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).