(2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate

C115H114N24O19S5 — CID 160700653

About (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate

(2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate (PubChem CID 160700653) has the molecular formula C115H114N24O19S5 and a molecular weight of 2296.66 g/mol. Its IUPAC name is (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate.

Molecular Properties

• Compound Name: (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate
• PubChem CID: 160700653
• Molecular Formula: C115H114N24O19S5
• Molecular Weight: 2296.66 g/mol
• Exact Mass: 2294.73
• IUPAC Name: (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate
• SMILES: CC#CC(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.CC#CC(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)OC)c4ccccc4)c23)C1.CN(C)CCNC(=O)/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)NCCN(C)C)C3)c1ccccc1.O=C(O)/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1
• InChI: InChI=1S/C26H30N6O4S.C25H28N6O4S.C22H20N4O3S.C21H18N4O5S.C21H18N4O3S/c1-31(2)14-12-27-20(33)9-10-21(34)32-13-11-18-19(15-32)37-25-22(18)24(28-16-29-25)30-23(26(35)36-3)17-7-5-4-6-8-17;1-30(2)13-11-26-19(32)8-9-20(33)31-12-10-17-18(14-31)36-24-21(17)23(27-15-28-24)29-22(25(34)35)16-6-4-3-5-7-16;1-3-7-17(27)26-11-10-15-16(12-26)30-21-18(15)20(23-13-24-21)25-19(22(28)29-2)14-8-5-4-6-9-14;26-15(6-7-16(27)28)25-9-8-13-14(10-25)31-20-17(13)19(22-11-23-20)24-18(21(29)30)12-4-2-1-3-5-12;1-2-6-16(26)25-10-9-14-15(11-25)29-20-17(14)19(22-12-23-20)24-18(21(27)28)13-7-4-3-5-8-13/h4-10,16,23H,11-15H2,1-3H3,(H,27,33)(H,28,29,30);3-9,15,22H,10-14H2,1-2H3,(H,26,32)(H,34,35)(H,27,28,29);4-6,8-9,13,19H,10-12H2,1-2H3,(H,23,24,25);1-7,11,18H,8-10H2,(H,27,28)(H,29,30)(H,22,23,24);3-5,7-8,12,18H,9-11H2,1H3,(H,27,28)(H,22,23,24)/b10-9+;9-8+;;7-6+;/t23-;22-;19-;2*18-/m00000/s1
• InChIKey: RQOMZZZICBOIHM-VFBGIDCCSA-N
• XLogP: 12.40
• TPSA: 557.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.66
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate?

The IUPAC name of (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate (CID 160700653) is (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate.

What is the SMILES notation for (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate?

The canonical SMILES for (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate is CC#CC(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.CC#CC(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)OC)c4ccccc4)c23)C1.CN(C)CCNC(=O)/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)NCCN(C)C)C3)c1ccccc1.O=C(O)/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c23)C1.

What is the InChIKey of (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate?

The InChIKey is RQOMZZZICBOIHM-VFBGIDCCSA-N. The full InChI is InChI=1S/C26H30N6O4S.C25H28N6O4S.C22H20N4O3S.C21H18N4O5S.C21H18N4O3S/c1-31(2)14-12-27-20(33)9-10-21(34)32-13-11-18-19(15-32)37-25-22(18)24(28-16-29-25)30-23(26(35)36-3)17-7-5-4-6-8-17;1-30(2)13-11-26-19(32)8-9-20(33)31-12-10-17-18(14-31)36-24-21(17)23(27-15-28-24)29-22(25(34)35)16-6-4-3-5-7-16;1-3-7-17(27)26-11-10-15-16(12-26)30-21-18(15)20(23-13-24-21)25-19(22(28)29-2)14-8-5-4-6-9-14;26-15(6-7-16(27)28)25-9-8-13-14(10-25)31-20-17(13)19(22-11-23-20)24-18(21(29)30)12-4-2-1-3-5-12;1-2-6-16(26)25-10-9-14-15(11-25)29-20-17(14)19(22-12-23-20)24-18(21(27)28)13-7-4-3-5-8-13/h4-10,16,23H,11-15H2,1-3H3,(H,27,33)(H,28,29,30);3-9,15,22H,10-14H2,1-2H3,(H,26,32)(H,34,35)(H,27,28,29);4-6,8-9,13,19H,10-12H2,1-2H3,(H,23,24,25);1-7,11,18H,8-10H2,(H,27,28)(H,29,30)(H,22,23,24);3-5,7-8,12,18H,9-11H2,1H3,(H,27,28)(H,22,23,24)/b10-9+;9-8+;;7-6+;/t23-;22-;19-;2*18-/m00000/s1.

What are the key properties of (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate?

(2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate has a molecular weight of 2296.66 g/mol, XLogP of 12.40, 32 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetic acid;(E)-4-[3-[[(S)-carboxy(phenyl)methyl]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;(2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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;methyl (2S)-2-[(11-but-2-ynoyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)amino]-2-phenylacetate;methyl (2S)-2-[[11-[(E)-4-[2-(dimethylamino)ethylamino]-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-phenylacetate is sourced from PubChem (CID 160700653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).