(5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride

C141H156ClN11O28 — CID 158172182

About (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride

(5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride (PubChem CID 158172182) has the molecular formula C141H156ClN11O28 and a molecular weight of 2488.30 g/mol. Its IUPAC name is (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride.

Molecular Properties

• Compound Name: (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
• PubChem CID: 158172182
• Molecular Formula: C141H156ClN11O28
• Molecular Weight: 2488.30 g/mol
• Exact Mass: 2486.08
• IUPAC Name: (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
• SMILES: CC(C)(CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)O.CC(C)(CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1.CC(C)(CC(=O)[C@@H](Cc1cn(C(C)(C)C)c2ccccc12)NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1.COC(=O)C(C)(C)CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1.COC(=O)C(C)(C)N.Cl.O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1
• InChI: InChI=1S/C36H40N2O6.C32H32N2O6.C25H28N2O5.C24H26N2O5.C19H18N2O4.C5H11NO2.ClH/c1-35(2,3)38-22-27(28-18-12-13-19-30(28)38)20-29(37-34(42)44-23-25-14-8-6-9-15-25)31(39)21-36(4,5)33(41)43-24-32(40)26-16-10-7-11-17-26;1-32(2,30(37)39-21-29(36)23-13-7-4-8-14-23)18-28(35)27(17-24-19-33-26-16-10-9-15-25(24)26)34-31(38)40-20-22-11-5-3-6-12-22;1-25(2,23(29)31-3)14-22(28)21(13-18-15-26-20-12-8-7-11-19(18)20)27-24(30)32-16-17-9-5-4-6-10-17;1-24(2,22(28)29)13-21(27)20(12-17-14-25-19-11-7-6-10-18(17)19)26-23(30)31-15-16-8-4-3-5-9-16;22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13;1-5(2,6)4(7)8-3;/h6-19,22,29H,20-21,23-24H2,1-5H3,(H,37,42);3-16,19,27,33H,17-18,20-21H2,1-2H3,(H,34,38);4-12,15,21,26H,13-14,16H2,1-3H3,(H,27,30);3-11,14,20,25H,12-13,15H2,1-2H3,(H,26,30)(H,28,29);1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23);6H2,1-3H3;1H/t29-;27-;21-;20-;17-;;/m11111../s1
• InChIKey: XGNLLSJQNOAIAS-FQEYOMQRSA-N
• XLogP: 23.71
• TPSA: 567.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 49
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2488.30
LogP ≤ 5	23.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride?

The IUPAC name of (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride (CID 158172182) is (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride.

What is the SMILES notation for (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride?

The canonical SMILES for (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride is CC(C)(CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)O.CC(C)(CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1.CC(C)(CC(=O)[C@@H](Cc1cn(C(C)(C)C)c2ccccc12)NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1.COC(=O)C(C)(C)CC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1.COC(=O)C(C)(C)N.Cl.O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1.

What is the InChIKey of (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride?

The InChIKey is XGNLLSJQNOAIAS-FQEYOMQRSA-N. The full InChI is InChI=1S/C36H40N2O6.C32H32N2O6.C25H28N2O5.C24H26N2O5.C19H18N2O4.C5H11NO2.ClH/c1-35(2,3)38-22-27(28-18-12-13-19-30(28)38)20-29(37-34(42)44-23-25-14-8-6-9-15-25)31(39)21-36(4,5)33(41)43-24-32(40)26-16-10-7-11-17-26;1-32(2,30(37)39-21-29(36)23-13-7-4-8-14-23)18-28(35)27(17-24-19-33-26-16-10-9-15-25(24)26)34-31(38)40-20-22-11-5-3-6-12-22;1-25(2,23(29)31-3)14-22(28)21(13-18-15-26-20-12-8-7-11-19(18)20)27-24(30)32-16-17-9-5-4-6-10-17;1-24(2,22(28)29)13-21(27)20(12-17-14-25-19-11-7-6-10-18(17)19)26-23(30)31-15-16-8-4-3-5-9-16;22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13;1-5(2,6)4(7)8-3;/h6-19,22,29H,20-21,23-24H2,1-5H3,(H,37,42);3-16,19,27,33H,17-18,20-21H2,1-2H3,(H,34,38);4-12,15,21,26H,13-14,16H2,1-3H3,(H,27,30);3-11,14,20,25H,12-13,15H2,1-2H3,(H,26,30)(H,28,29);1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23);6H2,1-3H3;1H/t29-;27-;21-;20-;17-;;/m11111../s1.

What are the key properties of (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride?

(5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride has a molecular weight of 2488.30 g/mol, XLogP of 23.71, 49 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride is sourced from PubChem (CID 158172182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).