(2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate

C116H118N22O21S5 — CID 159497136

About (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate

(2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate (PubChem CID 159497136) has the molecular formula C116H118N22O21S5 and a molecular weight of 2316.69 g/mol. Its IUPAC name is (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate.

Molecular Properties

• Compound Name: (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate
• PubChem CID: 159497136
• Molecular Formula: C116H118N22O21S5
• Molecular Weight: 2316.69 g/mol
• Exact Mass: 2314.74
• IUPAC Name: (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate
• SMILES: CCOC(=O)/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.CCOC(=O)/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)OC)c4ccccc4)c23)C1.CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.COC(=O)[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/C(=O)O)C3)c1ccccc1.COC(=O)[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1
• InChI: InChI=1S/C24H27N5O3S.C24H24N4O5S.C23H25N5O3S.C23H22N4O5S.C22H20N4O5S/c1-28(2)12-7-10-19(30)29-13-11-17-18(14-29)33-23-20(17)22(25-15-26-23)27-21(24(31)32-3)16-8-5-4-6-9-16;1-3-33-19(30)10-9-18(29)28-12-11-16-17(13-28)34-23-20(16)22(25-14-26-23)27-21(24(31)32-2)15-7-5-4-6-8-15;1-27(2)11-6-9-18(29)28-12-10-16-17(13-28)32-22-19(16)21(24-14-25-22)26-20(23(30)31)15-7-4-3-5-8-15;1-2-32-18(29)9-8-17(28)27-11-10-15-16(12-27)33-22-19(15)21(24-13-25-22)26-20(23(30)31)14-6-4-3-5-7-14;1-31-22(30)19(13-5-3-2-4-6-13)25-20-18-14-9-10-26(16(27)7-8-17(28)29)11-15(14)32-21(18)24-12-23-20/h4-10,15,21H,11-14H2,1-3H3,(H,25,26,27);4-10,14,21H,3,11-13H2,1-2H3,(H,25,26,27);3-9,14,20H,10-13H2,1-2H3,(H,30,31)(H,24,25,26);3-9,13,20H,2,10-12H2,1H3,(H,30,31)(H,24,25,26);2-8,12,19H,9-11H2,1H3,(H,28,29)(H,23,24,25)/b10-7+;10-9+;9-6+;9-8+;8-7+/t2*21-;2*20-;19-/m00000/s1
• InChIKey: LYXRZHCBLYVAPM-MOSQWYQZSA-N
• XLogP: 14.45
• TPSA: 540.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.69
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate?

The IUPAC name of (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate (CID 159497136) is (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate.

What is the SMILES notation for (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate?

The canonical SMILES for (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate is CCOC(=O)/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.CCOC(=O)/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)OC)c4ccccc4)c23)C1.CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.COC(=O)[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/C(=O)O)C3)c1ccccc1.COC(=O)[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1.

What is the InChIKey of (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate?

The InChIKey is LYXRZHCBLYVAPM-MOSQWYQZSA-N. The full InChI is InChI=1S/C24H27N5O3S.C24H24N4O5S.C23H25N5O3S.C23H22N4O5S.C22H20N4O5S/c1-28(2)12-7-10-19(30)29-13-11-17-18(14-29)33-23-20(17)22(25-15-26-23)27-21(24(31)32-3)16-8-5-4-6-9-16;1-3-33-19(30)10-9-18(29)28-12-11-16-17(13-28)34-23-20(16)22(25-14-26-23)27-21(24(31)32-2)15-7-5-4-6-8-15;1-27(2)11-6-9-18(29)28-12-10-16-17(13-28)32-22-19(16)21(24-14-25-22)26-20(23(30)31)15-7-4-3-5-8-15;1-2-32-18(29)9-8-17(28)27-11-10-15-16(12-27)33-22-19(15)21(24-13-25-22)26-20(23(30)31)14-6-4-3-5-7-14;1-31-22(30)19(13-5-3-2-4-6-13)25-20-18-14-9-10-26(16(27)7-8-17(28)29)11-15(14)32-21(18)24-12-23-20/h4-10,15,21H,11-14H2,1-3H3,(H,25,26,27);4-10,14,21H,3,11-13H2,1-2H3,(H,25,26,27);3-9,14,20H,10-13H2,1-2H3,(H,30,31)(H,24,25,26);3-9,13,20H,2,10-12H2,1H3,(H,30,31)(H,24,25,26);2-8,12,19H,9-11H2,1H3,(H,28,29)(H,23,24,25)/b10-7+;10-9+;9-6+;9-8+;8-7+/t2*21-;2*20-;19-/m00000/s1.

What are the key properties of (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate?

(2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate has a molecular weight of 2316.69 g/mol, XLogP of 14.45, 34 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;(2S)-2-[[11-[(E)-4-ethoxy-4-oxobut-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetic acid;ethyl (E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoate;(E)-4-[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enoic acid;methyl (2S)-2-[[11-[(E)-4-(dimethylamino)but-2-enoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-2-phenylacetate is sourced from PubChem (CID 159497136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).