(2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

C136H127Cl11N20O30S2 — CID 157241010

About (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

(2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 157241010) has the molecular formula C136H127Cl11N20O30S2 and a molecular weight of 2975.74 g/mol. Its IUPAC name is (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid
• PubChem CID: 157241010
• Molecular Formula: C136H127Cl11N20O30S2
• Molecular Weight: 2975.74 g/mol
• Exact Mass: 2968.50
• IUPAC Name: (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid
• SMILES: CC(C)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)O)c1.COCCN/C(=N/C[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O)NC#N.CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4c(c2)OCO4)C3)C(=O)O)c1.N#CN/C(=N\C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)N1C[C@H](O)C[C@H](O)C1.O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)c1cccs1
• InChI: InChI=1S/C29H27Cl3N2O4.C29H28Cl2N6O7.C28H24Cl2N2O8S.C26H21Cl2N5O5S.C24H27Cl2N5O6/c1-16(2)19-5-3-4-17(12-19)13-24(29(37)38)33-27(35)25-23(31)14-20-15-34(11-10-22(20)26(25)32)28(36)18-6-8-21(30)9-7-18;30-20-7-16-11-36(27(41)23-8-15-3-1-2-4-22(15)44-23)6-5-19(16)25(31)24(20)26(40)35-21(28(42)43)10-33-29(34-14-32)37-12-17(38)9-18(39)13-37;1-41(37,38)18-4-2-3-15(9-18)10-21(28(35)36)31-26(33)24-20(29)11-17-13-32(8-7-19(17)25(24)30)27(34)16-5-6-22-23(12-16)40-14-39-22;27-17-8-15-12-33(25(36)13-3-4-14-10-30-32-18(14)9-13)6-5-16(15)22(28)21(17)24(35)31-19(26(37)38)11-29-23(34)20-2-1-7-39-20;1-37-8-7-28-24(30-13-27)29-12-19(23(35)36)31-22(34)21-17(25)9-14(10-18(21)26)5-6-20(33)15-3-2-4-16(32)11-15/h3-9,12,14,16,24H,10-11,13,15H2,1-2H3,(H,33,35)(H,37,38);1-4,7-8,17-18,21,38-39H,5-6,9-13H2,(H,33,34)(H,35,40)(H,42,43);2-6,9,11-12,21H,7-8,10,13-14H2,1H3,(H,31,33)(H,35,36);1-4,7-10,19H,5-6,11-12H2,(H,29,34)(H,30,32)(H,31,35)(H,37,38);2-4,9-11,19-20,32-33H,5-8,12H2,1H3,(H,31,34)(H,35,36)(H2,28,29,30)/t24-;17-,18+,21-;21-;19-;19-,20?/m00000/s1
• InChIKey: AVFGSHGMTKJCJM-GVQYRSKJSA-N
• XLogP: 18.07
• TPSA: 738.54 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2975.74
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid?

The IUPAC name of (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid (CID 157241010) is (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid.

What is the SMILES notation for (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid?

The canonical SMILES for (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid is CC(C)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)O)c1.COCCN/C(=N/C[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O)NC#N.CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4c(c2)OCO4)C3)C(=O)O)c1.N#CN/C(=N\C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)N1C[C@H](O)C[C@H](O)C1.O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2)C(=O)O)c1cccs1.

What is the InChIKey of (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid?

The InChIKey is AVFGSHGMTKJCJM-GVQYRSKJSA-N. The full InChI is InChI=1S/C29H27Cl3N2O4.C29H28Cl2N6O7.C28H24Cl2N2O8S.C26H21Cl2N5O5S.C24H27Cl2N5O6/c1-16(2)19-5-3-4-17(12-19)13-24(29(37)38)33-27(35)25-23(31)14-20-15-34(11-10-22(20)26(25)32)28(36)18-6-8-21(30)9-7-18;30-20-7-16-11-36(27(41)23-8-15-3-1-2-4-22(15)44-23)6-5-19(16)25(31)24(20)26(40)35-21(28(42)43)10-33-29(34-14-32)37-12-17(38)9-18(39)13-37;1-41(37,38)18-4-2-3-15(9-18)10-21(28(35)36)31-26(33)24-20(29)11-17-13-32(8-7-19(17)25(24)30)27(34)16-5-6-22-23(12-16)40-14-39-22;27-17-8-15-12-33(25(36)13-3-4-14-10-30-32-18(14)9-13)6-5-16(15)22(28)21(17)24(35)31-19(26(37)38)11-29-23(34)20-2-1-7-39-20;1-37-8-7-28-24(30-13-27)29-12-19(23(35)36)31-22(34)21-17(25)9-14(10-18(21)26)5-6-20(33)15-3-2-4-16(32)11-15/h3-9,12,14,16,24H,10-11,13,15H2,1-2H3,(H,33,35)(H,37,38);1-4,7-8,17-18,21,38-39H,5-6,9-13H2,(H,33,34)(H,35,40)(H,42,43);2-6,9,11-12,21H,7-8,10,13-14H2,1H3,(H,31,33)(H,35,36);1-4,7-10,19H,5-6,11-12H2,(H,29,34)(H,30,32)(H,31,35)(H,37,38);2-4,9-11,19-20,32-33H,5-8,12H2,1H3,(H,31,34)(H,35,36)(H2,28,29,30)/t24-;17-,18+,21-;21-;19-;19-,20?/m00000/s1.

What are the key properties of (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid?

(2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 2975.74 g/mol, XLogP of 18.07, 39 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(1,3-benzodioxole-5-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(cyanoamino)-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]methylidene]amino]propanoic acid;(2S)-3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)propanoic acid;(2S)-2-[[5,7-dichloro-2-(1H-indazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 157241010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).