2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide

C126H132Mn4N16O34S2+8 — CID 162294159

IUPAC2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide
SMILESCOc1cc(C)c(O)c([C@@H](c2ccccn2)N(CCN(CC(=O)O)C(c2ccccn2)c2cc(OC)cc(S(=O)(=O)O)c2O)CC(=O)O)c1.COc1ccc(O)c(C(c2ccccn2)N(CCN(CC(=O)O)[C@H](c2ccccn2)c2cc(OC)ccc2O)CC(=O)O)c1.Cc1ccc(O)c([C@@H](c2ccccn2)N(CCN(CC(=O)O)C(c2ccccn2)c2ccccc2O)CC(=O)O)c1.O=C(O)CN(CCN(CC(=O)O)[C@H](c1ccccn1)c1ccccc1O)C(c1ccccn1)c1ccccc1O.O=S(=O)=O.[Mn+2].[Mn+2].[Mn+2].[Mn+2]
InChIInChI=1S/C33H36N4O11S.C32H34N4O8.C31H32N4O6.C30H30N4O6.4Mn.O3S/c1-20-14-21(47-2)15-23(32(20)42)30(25-8-4-6-10-34-25)36(18-28(38)39)12-13-37(19-29(40)41)31(26-9-5-7-11-35-26)24-16-22(48-3)17-27(33(24)43)49(44,45)46;1-43-21-9-11-27(37)23(17-21)31(25-7-3-5-13-33-25)35(19-29(39)40)15-16-36(20-30(41)42)32(26-8-4-6-14-34-26)24-18-22(44-2)10-12-28(24)38;1-21-12-13-27(37)23(18-21)31(25-10-5-7-15-33-25)35(20-29(40)41)17-16-34(19-28(38)39)30(24-9-4-6-14-32-24)22-8-2-3-11-26(22)36;35-25-13-3-1-9-21(25)29(23-11-5-7-15-31-23)33(19-27(37)38)17-18-34(20-28(39)40)30(24-12-6-8-16-32-24)22-10-2-4-14-26(22)36;;;;;1-4(2)3/h4-11,14-17,30-31,42-43H,12-13,18-19H2,1-3H3,(H,38,39)(H,40,41)(H,44,45,46);3-14,17-18,31-32,37-38H,15-16,19-20H2,1-2H3,(H,39,40)(H,41,42);2-15,18,30-31,36-37H,16-17,19-20H2,1H3,(H,38,39)(H,40,41);1-16,29-30,35-36H,17-20H2,(H,37,38)(H,39,40);;;;;/q;;;;4*+2;/t30-,31?;31-,32?;30?,31-;29-,30?;;;;;/m0000...../s1
InChIKeyLQBVZCLRZXNYHX-RFOAORAISA-N
MW2698.41 g/mol
LogP13.04
Rot. Bonds57

About 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide

2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide (PubChem CID 162294159) has the molecular formula C126H132Mn4N16O34S2+8 and a molecular weight of 2698.41 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide.

Molecular Properties

Compound Name2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide
PubChem CID162294159
Molecular FormulaC126H132Mn4N16O34S2+8
Molecular Weight2698.41 g/mol
Exact Mass2696.60
IUPAC Name2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide
SMILESCOc1cc(C)c(O)c([C@@H](c2ccccn2)N(CCN(CC(=O)O)C(c2ccccn2)c2cc(OC)cc(S(=O)(=O)O)c2O)CC(=O)O)c1.COc1ccc(O)c(C(c2ccccn2)N(CCN(CC(=O)O)[C@H](c2ccccn2)c2cc(OC)ccc2O)CC(=O)O)c1.Cc1ccc(O)c([C@@H](c2ccccn2)N(CCN(CC(=O)O)C(c2ccccn2)c2ccccc2O)CC(=O)O)c1.O=C(O)CN(CCN(CC(=O)O)[C@H](c1ccccn1)c1ccccc1O)C(c1ccccn1)c1ccccc1O.O=S(=O)=O.[Mn+2].[Mn+2].[Mn+2].[Mn+2]
InChIInChI=1S/C33H36N4O11S.C32H34N4O8.C31H32N4O6.C30H30N4O6.4Mn.O3S/c1-20-14-21(47-2)15-23(32(20)42)30(25-8-4-6-10-34-25)36(18-28(38)39)12-13-37(19-29(40)41)31(26-9-5-7-11-35-26)24-16-22(48-3)17-27(33(24)43)49(44,45)46;1-43-21-9-11-27(37)23(17-21)31(25-7-3-5-13-33-25)35(19-29(39)40)15-16-36(20-30(41)42)32(26-8-4-6-14-34-26)24-18-22(44-2)10-12-28(24)38;1-21-12-13-27(37)23(18-21)31(25-10-5-7-15-33-25)35(20-29(40)41)17-16-34(19-28(38)39)30(24-9-4-6-14-32-24)22-8-2-3-11-26(22)36;35-25-13-3-1-9-21(25)29(23-11-5-7-15-31-23)33(19-27(37)38)17-18-34(20-28(39)40)30(24-12-6-8-16-32-24)22-10-2-4-14-26(22)36;;;;;1-4(2)3/h4-11,14-17,30-31,42-43H,12-13,18-19H2,1-3H3,(H,38,39)(H,40,41)(H,44,45,46);3-14,17-18,31-32,37-38H,15-16,19-20H2,1-2H3,(H,39,40)(H,41,42);2-15,18,30-31,36-37H,16-17,19-20H2,1H3,(H,38,39)(H,40,41);1-16,29-30,35-36H,17-20H2,(H,37,38)(H,39,40);;;;;/q;;;;4*+2;/t30-,31?;31-,32?;30?,31-;29-,30?;;;;;/m0000...../s1
InChIKeyLQBVZCLRZXNYHX-RFOAORAISA-N
XLogP13.04
TPSA731.78 Ų
H-Bond Donors17
H-Bond Acceptors41
Rotatable Bonds57
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002698.41
LogP ≤ 513.04
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide 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

2-[[(2,5-dimethoxy-3-sulfophenyl)-pyridin-2-ylmethyl]-[2-[[(S)-(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 155766788
2-[2-[[(S)-(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]-(2-methanidyloxy-2-oxoethyl)amino]ethyl-[(2-methanidyloxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]acetic acid;manganese
CID 155766787
2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid
CID 177453649
bis((2S)-2-[2-[[carboxy-(2-hydroxy-5-methoxyphenyl)methyl]-(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]-2-(2-hydroxy-5-methoxyphenyl)acetic acid);(2S)-2-[2-[[carboxy-(2-hydroxy-5-methoxy-3-sulfophenyl)methyl]-(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]-2-(2-hydroxy-5-methoxy-3-sulfophenyl)acetic acid;(2S)-2-[2-[[carboxy-(2-hydroxyphenyl)methyl]-(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]-2-(2-hydroxyphenyl)acetic acid;(2S)-2-[2-[[carboxy-(2-hydroxy-5-sulfophenyl)methyl]-(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]-2-(2-hydroxyphenyl)acetic acid;pentakis(manganese(2+));propane;sulfur trioxide;pentahydrate
CID 162278192
2-[[(2-hydroxy-5-methoxyphenyl)-(1-methanidylpyridin-1-ium-2-yl)methyl]-[2-[[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]-(2-methanidyloxy-2-oxoethyl)amino]ethyl]amino]acetic acid;manganese
CID 155766794
tris(2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid);dichloromanganese;2-[[2-[[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol;manganese;manganese(2+);oxaldehydic acid
CID 162299809
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067057
1-(2-methoxy-5-methylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459919
2-[butan-2-yl-[1-(2-hydroxy-5-methoxyphenyl)ethyl]amino]acetic acid
CID 65057985
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264175
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide?
The IUPAC name of 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide (CID 162294159) is 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide.
What is the SMILES notation for 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide?
The canonical SMILES for 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide is COc1cc(C)c(O)c([C@@H](c2ccccn2)N(CCN(CC(=O)O)C(c2ccccn2)c2cc(OC)cc(S(=O)(=O)O)c2O)CC(=O)O)c1.COc1ccc(O)c(C(c2ccccn2)N(CCN(CC(=O)O)[C@H](c2ccccn2)c2cc(OC)ccc2O)CC(=O)O)c1.Cc1ccc(O)c([C@@H](c2ccccn2)N(CCN(CC(=O)O)C(c2ccccn2)c2ccccc2O)CC(=O)O)c1.O=C(O)CN(CCN(CC(=O)O)[C@H](c1ccccn1)c1ccccc1O)C(c1ccccn1)c1ccccc1O.O=S(=O)=O.[Mn+2].[Mn+2].[Mn+2].[Mn+2].
What is the InChIKey of 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide?
The InChIKey is LQBVZCLRZXNYHX-RFOAORAISA-N. The full InChI is InChI=1S/C33H36N4O11S.C32H34N4O8.C31H32N4O6.C30H30N4O6.4Mn.O3S/c1-20-14-21(47-2)15-23(32(20)42)30(25-8-4-6-10-34-25)36(18-28(38)39)12-13-37(19-29(40)41)31(26-9-5-7-11-35-26)24-16-22(48-3)17-27(33(24)43)49(44,45)46;1-43-21-9-11-27(37)23(17-21)31(25-7-3-5-13-33-25)35(19-29(39)40)15-16-36(20-30(41)42)32(26-8-4-6-14-34-26)24-18-22(44-2)10-12-28(24)38;1-21-12-13-27(37)23(18-21)31(25-10-5-7-15-33-25)35(20-29(40)41)17-16-34(19-28(38)39)30(24-9-4-6-14-32-24)22-8-2-3-11-26(22)36;35-25-13-3-1-9-21(25)29(23-11-5-7-15-31-23)33(19-27(37)38)17-18-34(20-28(39)40)30(24-12-6-8-16-32-24)22-10-2-4-14-26(22)36;;;;;1-4(2)3/h4-11,14-17,30-31,42-43H,12-13,18-19H2,1-3H3,(H,38,39)(H,40,41)(H,44,45,46);3-14,17-18,31-32,37-38H,15-16,19-20H2,1-2H3,(H,39,40)(H,41,42);2-15,18,30-31,36-37H,16-17,19-20H2,1H3,(H,38,39)(H,40,41);1-16,29-30,35-36H,17-20H2,(H,37,38)(H,39,40);;;;;/q;;;;4*+2;/t30-,31?;31-,32?;30?,31-;29-,30?;;;;;/m0000...../s1.
What are the key properties of 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide?
2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide has a molecular weight of 2698.41 g/mol, XLogP of 13.04, 57 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxy-5-methoxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(2-hydroxy-5-methoxy-3-sulfophenyl)-pyridin-2-ylmethyl]amino]ethyl-[(S)-(2-hydroxy-5-methoxy-3-methylphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxy-5-methylphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;2-[2-[carboxymethyl-[(S)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethyl-[(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]acetic acid;tetrakis(manganese(2+));sulfur trioxide is sourced from PubChem (CID 162294159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).