4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)

C132H127F6N23O30S4 — CID 161201169

IUPAC4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)
SMILESCC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccccc4C3(C)C)=C2Oc2ccc(C[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)OCc3ccccc3)cc2)N(CCCCS(=O)(=O)[O-])c2ccccc21.N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1.Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)OCc4ccccc4)cc3)nc2c(=O)[nH]1.Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)O)cc3)nc2c(=O)[nH]1.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C68H73N9O11S2.C32H26F3N7O6.C16H11F3N6O4.C16H17NO3.2O3S/c1-67(2)53-21-8-10-23-56(53)76(37-12-14-39-89(81,82)83)58(67)35-29-47-19-16-20-48(30-36-59-68(3,4)54-22-9-11-24-57(54)77(59)38-13-15-40-90(84,85)86)61(47)88-52-33-25-45(26-34-52)41-55(65(80)87-44-46-17-6-5-7-18-46)73-63(78)49-27-31-50(32-28-49)70-42-51-43-71-62-60(72-51)64(79)75-66(69)74-62;33-32(34,35)30(47)42(16-21-15-37-26-25(38-21)28(45)41-31(36)40-26)22-10-8-20(9-11-22)27(44)39-24(14-18-6-12-23(43)13-7-18)29(46)48-17-19-4-2-1-3-5-19;17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11;17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;2*1-4(2)3/h5-11,17-18,21-36,43,55H,12-16,19-20,37-42,44H2,1-4H3,(H6-,69,70,71,73,74,75,78,79,81,82,83,84,85,86);1-13,15,24,43H,14,16-17H2,(H,39,44)(H3,36,37,40,41,45);1-5H,6H2,(H,27,28)(H3,20,21,23,24,26);1-9,15,18H,10-11,17H2;;/t55-;24-;;15-;;/m00.1../s1
InChIKeyUUZNGCSJCZJENY-VZZVKVHJSA-N
MW2757.85 g/mol
LogP14.31
Rot. Bonds44

About 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)

4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide) (PubChem CID 161201169) has the molecular formula C132H127F6N23O30S4 and a molecular weight of 2757.85 g/mol. Its IUPAC name is 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide).

Molecular Properties

Compound Name4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)
PubChem CID161201169
Molecular FormulaC132H127F6N23O30S4
Molecular Weight2757.85 g/mol
Exact Mass2755.79
IUPAC Name4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)
SMILESCC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccccc4C3(C)C)=C2Oc2ccc(C[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)OCc3ccccc3)cc2)N(CCCCS(=O)(=O)[O-])c2ccccc21.N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1.Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)OCc4ccccc4)cc3)nc2c(=O)[nH]1.Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)O)cc3)nc2c(=O)[nH]1.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C68H73N9O11S2.C32H26F3N7O6.C16H11F3N6O4.C16H17NO3.2O3S/c1-67(2)53-21-8-10-23-56(53)76(37-12-14-39-89(81,82)83)58(67)35-29-47-19-16-20-48(30-36-59-68(3,4)54-22-9-11-24-57(54)77(59)38-13-15-40-90(84,85)86)61(47)88-52-33-25-45(26-34-52)41-55(65(80)87-44-46-17-6-5-7-18-46)73-63(78)49-27-31-50(32-28-49)70-42-51-43-71-62-60(72-51)64(79)75-66(69)74-62;33-32(34,35)30(47)42(16-21-15-37-26-25(38-21)28(45)41-31(36)40-26)22-10-8-20(9-11-22)27(44)39-24(14-18-6-12-23(43)13-7-18)29(46)48-17-19-4-2-1-3-5-19;17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11;17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;2*1-4(2)3/h5-11,17-18,21-36,43,55H,12-16,19-20,37-42,44H2,1-4H3,(H6-,69,70,71,73,74,75,78,79,81,82,83,84,85,86);1-13,15,24,43H,14,16-17H2,(H,39,44)(H3,36,37,40,41,45);1-5H,6H2,(H,27,28)(H3,20,21,23,24,26);1-9,15,18H,10-11,17H2;;/t55-;24-;;15-;;/m00.1../s1
InChIKeyUUZNGCSJCZJENY-VZZVKVHJSA-N
XLogP14.31
TPSA815.65 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds44
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.85
LogP ≤ 514.31
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)?
The IUPAC name of 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide) (CID 161201169) is 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide).
What is the SMILES notation for 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)?
The canonical SMILES for 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide) is CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccccc4C3(C)C)=C2Oc2ccc(C[C@H](NC(=O)c3ccc(NCc4cnc5nc(N)[nH]c(=O)c5n4)cc3)C(=O)OCc3ccccc3)cc2)N(CCCCS(=O)(=O)[O-])c2ccccc21.N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1.Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)OCc4ccccc4)cc3)nc2c(=O)[nH]1.Nc1nc2ncc(CN(C(=O)C(F)(F)F)c3ccc(C(=O)O)cc3)nc2c(=O)[nH]1.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)?
The InChIKey is UUZNGCSJCZJENY-VZZVKVHJSA-N. The full InChI is InChI=1S/C68H73N9O11S2.C32H26F3N7O6.C16H11F3N6O4.C16H17NO3.2O3S/c1-67(2)53-21-8-10-23-56(53)76(37-12-14-39-89(81,82)83)58(67)35-29-47-19-16-20-48(30-36-59-68(3,4)54-22-9-11-24-57(54)77(59)38-13-15-40-90(84,85)86)61(47)88-52-33-25-45(26-34-52)41-55(65(80)87-44-46-17-6-5-7-18-46)73-63(78)49-27-31-50(32-28-49)70-42-51-43-71-62-60(72-51)64(79)75-66(69)74-62;33-32(34,35)30(47)42(16-21-15-37-26-25(38-21)28(45)41-31(36)40-26)22-10-8-20(9-11-22)27(44)39-24(14-18-6-12-23(43)13-7-18)29(46)48-17-19-4-2-1-3-5-19;17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11;17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;2*1-4(2)3/h5-11,17-18,21-36,43,55H,12-16,19-20,37-42,44H2,1-4H3,(H6-,69,70,71,73,74,75,78,79,81,82,83,84,85,86);1-13,15,24,43H,14,16-17H2,(H,39,44)(H3,36,37,40,41,45);1-5H,6H2,(H,27,28)(H3,20,21,23,24,26);1-9,15,18H,10-11,17H2;;/t55-;24-;;15-;;/m00.1../s1.
What are the key properties of 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide)?
4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide) has a molecular weight of 2757.85 g/mol, XLogP of 14.31, 44 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-3-oxo-3-phenylmethoxypropyl]phenoxy]-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid;benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzyl (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate;bis(sulfur trioxide) is sourced from PubChem (CID 161201169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).