(2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal

C92H106Cl4N6O14 — CID 158846737

About (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal

(2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal (PubChem CID 158846737) has the molecular formula C92H106Cl4N6O14 and a molecular weight of 1661.70 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal.

Molecular Properties

• Compound Name: (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal
• PubChem CID: 158846737
• Molecular Formula: C92H106Cl4N6O14
• Molecular Weight: 1661.70 g/mol
• Exact Mass: 1658.65
• IUPAC Name: (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal
• SMILES: C[C@@H](N[C@@H](C(=O)O)[C@@H](O)CCc1ccccc1)c1ccccc1.C[C@H](c1ccccc1)N1CC(=O)N(C(=O)OC(C)(C)C)[C@H]1c1c(Cl)cccc1Cl.C[C@H](c1ccccc1)N1[C@H](c2c(Cl)cccc2Cl)N(C(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H](O)CCc1ccccc1.N[C@@H](C(=O)O)[C@@H](O)CCc1ccccc1.O=CCCc1ccccc1
• InChI: InChI=1S/C31H34Cl2N2O4.C22H24Cl2N2O3.C19H23NO3.C11H15NO3.C9H10O/c1-20(22-14-9-6-10-15-22)34-27(25(36)19-18-21-12-7-5-8-13-21)29(37)35(30(38)39-31(2,3)4)28(34)26-23(32)16-11-17-24(26)33;1-14(15-9-6-5-7-10-15)25-13-18(27)26(21(28)29-22(2,3)4)20(25)19-16(23)11-8-12-17(19)24;1-14(16-10-6-3-7-11-16)20-18(19(22)23)17(21)13-12-15-8-4-2-5-9-15;12-10(11(14)15)9(13)7-6-8-4-2-1-3-5-8;10-8-4-7-9-5-2-1-3-6-9/h5-17,20,25,27-28,36H,18-19H2,1-4H3;5-12,14,20H,13H2,1-4H3;2-11,14,17-18,20-21H,12-13H2,1H3,(H,22,23);1-5,9-10,13H,6-7,12H2,(H,14,15);1-3,5-6,8H,4,7H2/t20-,25+,27-,28+;14-,20+;14-,17+,18-;9-,10+;/m1110./s1
• InChIKey: IYXSHTACEOKDBE-QAGAMTLUSA-N
• XLogP: 18.02
• TPSA: 290.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1661.70
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal?

The IUPAC name of (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal (CID 158846737) is (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal.

What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal?

The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal is C[C@@H](N[C@@H](C(=O)O)[C@@H](O)CCc1ccccc1)c1ccccc1.C[C@H](c1ccccc1)N1CC(=O)N(C(=O)OC(C)(C)C)[C@H]1c1c(Cl)cccc1Cl.C[C@H](c1ccccc1)N1[C@H](c2c(Cl)cccc2Cl)N(C(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H](O)CCc1ccccc1.N[C@@H](C(=O)O)[C@@H](O)CCc1ccccc1.O=CCCc1ccccc1.

What is the InChIKey of (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal?

The InChIKey is IYXSHTACEOKDBE-QAGAMTLUSA-N. The full InChI is InChI=1S/C31H34Cl2N2O4.C22H24Cl2N2O3.C19H23NO3.C11H15NO3.C9H10O/c1-20(22-14-9-6-10-15-22)34-27(25(36)19-18-21-12-7-5-8-13-21)29(37)35(30(38)39-31(2,3)4)28(34)26-23(32)16-11-17-24(26)33;1-14(15-9-6-5-7-10-15)25-13-18(27)26(21(28)29-22(2,3)4)20(25)19-16(23)11-8-12-17(19)24;1-14(16-10-6-3-7-11-16)20-18(19(22)23)17(21)13-12-15-8-4-2-5-9-15;12-10(11(14)15)9(13)7-6-8-4-2-1-3-5-8;10-8-4-7-9-5-2-1-3-6-9/h5-17,20,25,27-28,36H,18-19H2,1-4H3;5-12,14,20H,13H2,1-4H3;2-11,14,17-18,20-21H,12-13H2,1H3,(H,22,23);1-5,9-10,13H,6-7,12H2,(H,14,15);1-3,5-6,8H,4,7H2/t20-,25+,27-,28+;14-,20+;14-,17+,18-;9-,10+;/m1110./s1.

What are the key properties of (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal?

(2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal has a molecular weight of 1661.70 g/mol, XLogP of 18.02, 26 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2S,4R)-2-(2,6-dichlorophenyl)-4-[(1S)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2S)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2R,3S)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal is sourced from PubChem (CID 158846737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).