(2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide

C136H132Cl11FN26O30S3 — CID 157274944

About (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide

(2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide (PubChem CID 157274944) has the molecular formula C136H132Cl11FN26O30S3 and a molecular weight of 3115.89 g/mol. Its IUPAC name is (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide.

Molecular Properties

• Compound Name: (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide
• PubChem CID: 157274944
• Molecular Formula: C136H132Cl11FN26O30S3
• Molecular Weight: 3115.89 g/mol
• Exact Mass: 3108.53
• IUPAC Name: (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide
• SMILES: C=C/C=C\c1coc(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](CN)C(=O)O)c3Cl)C2)c1.CC(C)N/C(=N\C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O)NS(C)(=O)=O.CO[C@@H]1CN(/C=N/C#N)C[C@H]1O.CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2cc4cc(F)ccc4[nH]2)C3)C(=O)O)o1.CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2nc4ccccc4[nH]2)C3)C(=O)O)c1.N#CN/C(=N\C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccn3n1)C2)C(=O)O)N1CCCC1
• InChI: InChI=1S/C28H24Cl2N4O6S.C27H22Cl2FN3O7S.C27H26Cl2N8O4.C25H28Cl3N5O6S.C22H21Cl2N3O5.C7H11N3O2/c1-41(39,40)17-6-4-5-15(11-17)12-22(28(37)38)33-26(35)23-19(29)13-16-14-34(10-9-18(16)24(23)30)27(36)25-31-20-7-2-3-8-21(20)32-25;1-41(38,39)22-5-3-16(40-22)11-21(27(36)37)32-25(34)23-18(28)9-14-12-33(7-6-17(14)24(23)29)26(35)20-10-13-8-15(30)2-4-19(13)31-20;28-19-11-16-14-36(25(39)20-12-17-5-1-2-9-37(17)34-20)10-6-18(16)23(29)22(19)24(38)33-21(26(40)41)13-31-27(32-15-30)35-7-3-4-8-35;1-13(2)30-25(32-40(3,38)39)29-11-19(24(36)37)31-22(34)20-18(27)10-15-12-33(9-8-17(15)21(20)28)23(35)14-4-6-16(26)7-5-14;1-2-3-4-12-7-17(32-11-12)21(29)27-6-5-14-13(10-27)8-15(23)18(19(14)24)20(28)26-16(9-25)22(30)31;1-12-7-3-10(2-6(7)11)5-9-4-8/h2-8,11,13,22H,9-10,12,14H2,1H3,(H,31,32)(H,33,35)(H,37,38);2-5,8-10,21,31H,6-7,11-12H2,1H3,(H,32,34)(H,36,37);1-2,5,9,11-12,21H,3-4,6-8,10,13-14H2,(H,31,32)(H,33,38)(H,40,41);4-7,10,13,19H,8-9,11-12H2,1-3H3,(H,31,34)(H,36,37)(H2,29,30,32);2-4,7-8,11,16H,1,5-6,9-10,25H2,(H,26,28)(H,30,31);5-7,11H,2-3H2,1H3/b;;;;4-3-;9-5+/t22-;2*21-;19-;16-;6-,7-/m000001/s1
• InChIKey: AYZGXEGOQGMTBO-UQJWMPAISA-N
• XLogP: 15.92
• TPSA: 806.73 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 34
• Rotatable Bonds: 37
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3115.89
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide?

The IUPAC name of (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide (CID 157274944) is (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide.

What is the SMILES notation for (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide?

The canonical SMILES for (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide is C=C/C=C\c1coc(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](CN)C(=O)O)c3Cl)C2)c1.CC(C)N/C(=N\C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O)NS(C)(=O)=O.CO[C@@H]1CN(/C=N/C#N)C[C@H]1O.CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2cc4cc(F)ccc4[nH]2)C3)C(=O)O)o1.CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2nc4ccccc4[nH]2)C3)C(=O)O)c1.N#CN/C(=N\C[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccn3n1)C2)C(=O)O)N1CCCC1.

What is the InChIKey of (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide?

The InChIKey is AYZGXEGOQGMTBO-UQJWMPAISA-N. The full InChI is InChI=1S/C28H24Cl2N4O6S.C27H22Cl2FN3O7S.C27H26Cl2N8O4.C25H28Cl3N5O6S.C22H21Cl2N3O5.C7H11N3O2/c1-41(39,40)17-6-4-5-15(11-17)12-22(28(37)38)33-26(35)23-19(29)13-16-14-34(10-9-18(16)24(23)30)27(36)25-31-20-7-2-3-8-21(20)32-25;1-41(38,39)22-5-3-16(40-22)11-21(27(36)37)32-25(34)23-18(28)9-14-12-33(7-6-17(14)24(23)29)26(35)20-10-13-8-15(30)2-4-19(13)31-20;28-19-11-16-14-36(25(39)20-12-17-5-1-2-9-37(17)34-20)10-6-18(16)23(29)22(19)24(38)33-21(26(40)41)13-31-27(32-15-30)35-7-3-4-8-35;1-13(2)30-25(32-40(3,38)39)29-11-19(24(36)37)31-22(34)20-18(27)10-15-12-33(9-8-17(15)21(20)28)23(35)14-4-6-16(26)7-5-14;1-2-3-4-12-7-17(32-11-12)21(29)27-6-5-14-13(10-27)8-15(23)18(19(14)24)20(28)26-16(9-25)22(30)31;1-12-7-3-10(2-6(7)11)5-9-4-8/h2-8,11,13,22H,9-10,12,14H2,1H3,(H,31,32)(H,33,35)(H,37,38);2-5,8-10,21,31H,6-7,11-12H2,1H3,(H,32,34)(H,36,37);1-2,5,9,11-12,21H,3-4,6-8,10,13-14H2,(H,31,32)(H,33,38)(H,40,41);4-7,10,13,19H,8-9,11-12H2,1-3H3,(H,31,34)(H,36,37)(H2,29,30,32);2-4,7-8,11,16H,1,5-6,9-10,25H2,(H,26,28)(H,30,31);5-7,11H,2-3H2,1H3/b;;;;4-3-;9-5+/t22-;2*21-;19-;16-;6-,7-/m000001/s1.

What are the key properties of (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide?

(2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide has a molecular weight of 3115.89 g/mol, XLogP of 15.92, 37 rotatable bonds, 17 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-amino-2-[[2-[4-[(1Z)-buta-1,3-dienyl]furan-2-carbonyl]-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[2-(1H-benzimidazole-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid;(2S)-3-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]-2-[[5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[methanesulfonamido-(propan-2-ylamino)methylidene]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(5-fluoro-1H-indole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(5-methylsulfonylfuran-2-yl)propanoic acid;[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methylidenecyanamide is sourced from PubChem (CID 157274944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).