(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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane

C165H156Cl12N22O36S3 — CID 157390438

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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane

(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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane (PubChem CID 157390438) has the molecular formula C165H156Cl12N22O36S3 and a molecular weight of 3544.82 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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane.

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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane
• PubChem CID: 157390438
• Molecular Formula: C165H156Cl12N22O36S3
• Molecular Weight: 3544.82 g/mol
• Exact Mass: 3536.65
• 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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane
• SMILES: C.CC(C)c1cccc(C[C@H](NC(=O)c2ccc3c(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#C/N=C(/CC[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)c1ccc3c(c1)OCC3)C2)C(=O)O)c1cccs1.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/C30H29Cl2N5O7.C29H28Cl2N2O4.C28H24Cl2N2O8S.C27H23Cl2N3O6S.C26H21Cl2N5O5S.C24H27Cl2N5O6.CH4/c31-21-9-17-12-36(29(41)24-10-16-3-1-2-4-23(16)44-24)8-7-20(17)27(32)26(21)28(40)35-22(30(42)43)5-6-25(34-15-33)37-13-18(38)11-19(39)14-37;1-17(2)20-5-3-4-18(14-20)15-25(29(36)37)32-27(34)24-11-8-21-16-33(13-12-23(21)26(24)31)28(35)19-6-9-22(30)10-7-19;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;28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21;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;/h1-4,9-10,18-19,22,38-39H,5-8,11-14H2,(H,35,40)(H,42,43);3-11,14,17,25H,12-13,15-16H2,1-2H3,(H,32,34)(H,36,37);2-6,9,11-12,21H,7-8,10,13-14H2,1H3,(H,31,33)(H,35,36);1-4,9-11,19H,5-8,12-13H2,(H,30,33)(H,31,34)(H,36,37);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);1H4/b34-25-;;;;;;/t18-,19+,22-;25-;21-;2*19-;19-,20?;/m000000./s1
• InChIKey: BLYCHQDZFNTVOW-SPNPEXISSA-N
• XLogP: 23.09
• TPSA: 851.55 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3544.82
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	37

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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane?

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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane (CID 157390438) 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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane.

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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane?

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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane is C.CC(C)c1cccc(C[C@H](NC(=O)c2ccc3c(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#C/N=C(/CC[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)c1ccc3c(c1)OCC3)C2)C(=O)O)c1cccs1.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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane?

The InChIKey is BLYCHQDZFNTVOW-SPNPEXISSA-N. The full InChI is InChI=1S/C30H29Cl2N5O7.C29H28Cl2N2O4.C28H24Cl2N2O8S.C27H23Cl2N3O6S.C26H21Cl2N5O5S.C24H27Cl2N5O6.CH4/c31-21-9-17-12-36(29(41)24-10-16-3-1-2-4-23(16)44-24)8-7-20(17)27(32)26(21)28(40)35-22(30(42)43)5-6-25(34-15-33)37-13-18(38)11-19(39)14-37;1-17(2)20-5-3-4-18(14-20)15-25(29(36)37)32-27(34)24-11-8-21-16-33(13-12-23(21)26(24)31)28(35)19-6-9-22(30)10-7-19;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;28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21;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;/h1-4,9-10,18-19,22,38-39H,5-8,11-14H2,(H,35,40)(H,42,43);3-11,14,17,25H,12-13,15-16H2,1-2H3,(H,32,34)(H,36,37);2-6,9,11-12,21H,7-8,10,13-14H2,1H3,(H,31,33)(H,35,36);1-4,9-11,19H,5-8,12-13H2,(H,30,33)(H,31,34)(H,36,37);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);1H4/b34-25-;;;;;;/t18-,19+,22-;25-;21-;2*19-;19-,20?;/m000000./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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane?

(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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane has a molecular weight of 3544.82 g/mol, XLogP of 23.09, 47 rotatable bonds, 21 hydrogen bond donors, and 37 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]-5-cyanoimino-5-[(3R,5S)-3,5-dihydroxypiperidin-1-yl]pentanoic acid;(2S)-2-[[5-chloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-propan-2-ylphenyl)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-(2,3-dihydro-1-benzofuran-6-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)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;methane is sourced from PubChem (CID 157390438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).