[(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate

C154H195Cl6N34O33P3 — CID 159138577

About [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate

[(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate (PubChem CID 159138577) has the molecular formula C154H195Cl6N34O33P3 and a molecular weight of 3356.10 g/mol. Its IUPAC name is [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate.

Molecular Properties

• Compound Name: [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate
• PubChem CID: 159138577
• Molecular Formula: C154H195Cl6N34O33P3
• Molecular Weight: 3356.10 g/mol
• Exact Mass: 3351.20
• IUPAC Name: [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate
• SMILES: CC[C@H](CO)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(=O)C(C)(C)N)c3cccc(Cl)c3)c2)n1.CC[C@H](CO)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COP(=O)(O)O)c3cccc(Cl)c3)c2)n1.CC[C@H](COC(=O)C(N)C(C)C)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(C)=O)c3cccc(Cl)c3)c2)n1.CC[C@H](COC(C)=O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(=O)C(N)C(C)C)c3cccc(Cl)c3)c2)n1.CC[C@H](COP(=O)(O)O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1.CC[C@H](COP(=O)(O)O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(=O)C(C)(C)N)c3cccc(Cl)c3)c2)n1
• InChI: InChI=1S/2C29H37ClN6O5.C26H34ClN6O7P.C26H33ClN6O4.2C22H27ClN5O6P/c1-6-22(14-41-28(39)25(31)16(2)3)34-29-33-12-17(4)26(36-29)20-11-23(32-13-20)27(38)35-24(15-40-18(5)37)19-8-7-9-21(30)10-19;1-6-22(14-40-18(5)37)34-29-33-12-17(4)26(36-29)20-11-23(32-13-20)27(38)35-24(19-8-7-9-21(30)10-19)15-41-28(39)25(31)16(2)3;1-5-19(13-40-41(36,37)38)31-25-30-11-15(2)22(33-25)17-10-20(29-12-17)23(34)32-21(14-39-24(35)26(3,4)28)16-7-6-8-18(27)9-16;1-5-19(13-34)31-25-30-11-15(2)22(33-25)17-10-20(29-12-17)23(35)32-21(14-37-24(36)26(3,4)28)16-7-6-8-18(27)9-16;1-3-17(12-34-35(31,32)33)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(30)27-19(11-29)14-5-4-6-16(23)7-14;1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(30)27-19(12-34-35(31,32)33)14-5-4-6-16(23)7-14/h2*7-13,16,22,24-25,32H,6,14-15,31H2,1-5H3,(H,35,38)(H,33,34,36);6-12,19,21,29H,5,13-14,28H2,1-4H3,(H,32,34)(H,30,31,33)(H2,36,37,38);6-12,19,21,29,34H,5,13-14,28H2,1-4H3,(H,32,35)(H,30,31,33);2*4-10,17,19,24,29H,3,11-12H2,1-2H3,(H,27,30)(H,25,26,28)(H2,31,32,33)/t2*22-,24-,25?;2*19-,21-;2*17-,19-/m111111/s1
• InChIKey: KHUUODLRRLXNTN-YMXSYLFQSA-N
• XLogP: 21.62
• TPSA: 1019.05 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 49
• Rotatable Bonds: 72
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3356.10
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate?

The IUPAC name of [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate (CID 159138577) is [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate.

What is the SMILES notation for [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate?

The canonical SMILES for [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate is CC[C@H](CO)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(=O)C(C)(C)N)c3cccc(Cl)c3)c2)n1.CC[C@H](CO)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COP(=O)(O)O)c3cccc(Cl)c3)c2)n1.CC[C@H](COC(=O)C(N)C(C)C)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(C)=O)c3cccc(Cl)c3)c2)n1.CC[C@H](COC(C)=O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(=O)C(N)C(C)C)c3cccc(Cl)c3)c2)n1.CC[C@H](COP(=O)(O)O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1.CC[C@H](COP(=O)(O)O)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](COC(=O)C(C)(C)N)c3cccc(Cl)c3)c2)n1.

What is the InChIKey of [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate?

The InChIKey is KHUUODLRRLXNTN-YMXSYLFQSA-N. The full InChI is InChI=1S/2C29H37ClN6O5.C26H34ClN6O7P.C26H33ClN6O4.2C22H27ClN5O6P/c1-6-22(14-41-28(39)25(31)16(2)3)34-29-33-12-17(4)26(36-29)20-11-23(32-13-20)27(38)35-24(15-40-18(5)37)19-8-7-9-21(30)10-19;1-6-22(14-40-18(5)37)34-29-33-12-17(4)26(36-29)20-11-23(32-13-20)27(38)35-24(19-8-7-9-21(30)10-19)15-41-28(39)25(31)16(2)3;1-5-19(13-40-41(36,37)38)31-25-30-11-15(2)22(33-25)17-10-20(29-12-17)23(34)32-21(14-39-24(35)26(3,4)28)16-7-6-8-18(27)9-16;1-5-19(13-34)31-25-30-11-15(2)22(33-25)17-10-20(29-12-17)23(35)32-21(14-37-24(36)26(3,4)28)16-7-6-8-18(27)9-16;1-3-17(12-34-35(31,32)33)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(30)27-19(11-29)14-5-4-6-16(23)7-14;1-3-17(11-29)26-22-25-9-13(2)20(28-22)15-8-18(24-10-15)21(30)27-19(12-34-35(31,32)33)14-5-4-6-16(23)7-14/h2*7-13,16,22,24-25,32H,6,14-15,31H2,1-5H3,(H,35,38)(H,33,34,36);6-12,19,21,29H,5,13-14,28H2,1-4H3,(H,32,34)(H,30,31,33)(H2,36,37,38);6-12,19,21,29,34H,5,13-14,28H2,1-4H3,(H,32,35)(H,30,31,33);2*4-10,17,19,24,29H,3,11-12H2,1-2H3,(H,27,30)(H,25,26,28)(H2,31,32,33)/t2*22-,24-,25?;2*19-,21-;2*17-,19-/m111111/s1.

What are the key properties of [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate?

[(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate has a molecular weight of 3356.10 g/mol, XLogP of 21.62, 72 rotatable bonds, 31 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[4-[2-[[(2R)-1-acetyloxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-(3-chlorophenyl)ethyl] 2-amino-3-methylbutanoate;[(2R)-2-[[4-[5-[[(1S)-2-acetyloxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-3-methylbutanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate;[(2S)-2-(3-chlorophenyl)-2-[[4-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] dihydrogen phosphate;[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] dihydrogen phosphate;[(2S)-2-(3-chlorophenyl)-2-[[4-[5-methyl-2-[[(2R)-1-phosphonooxybutan-2-yl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]ethyl] 2-amino-2-methylpropanoate is sourced from PubChem (CID 159138577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).