4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid

C151H180F3N21O20 — CID 169425210

About 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid

4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 169425210) has the molecular formula C151H180F3N21O20 and a molecular weight of 2666.22 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 169425210
• Molecular Formula: C151H180F3N21O20
• Molecular Weight: 2666.22 g/mol
• Exact Mass: 2664.37
• IUPAC Name: 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.CC(C)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](CO)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C38H47N5O5.C26H33N5O3.C23H27N3O3.C23H28N2O5.C21H25N3O.C18H19N3O.C2HF3O2/c1-24(2)43(33(23-47-22-27-14-10-8-11-15-27)35-40-21-32(41-35)28-16-12-9-13-17-28)36(45)31(42-37(46)48-38(5,6)7)20-30-25(3)18-29(34(39)44)19-26(30)4;1-15(2)31(23(14-32)25-29-13-22(30-25)18-8-6-5-7-9-18)26(34)21(27)12-20-16(3)10-19(24(28)33)11-17(20)4;1-23(2,3)29-22(27)26-20(16-28-15-17-10-6-4-7-11-17)21-24-14-19(25-21)18-12-8-5-9-13-18;1-23(2,3)30-22(28)25-19(16-29-15-17-10-6-4-7-11-17)21(27)24-14-20(26)18-12-8-5-9-13-18;1-16(2)23-20(15-25-14-17-9-5-3-6-10-17)21-22-13-19(24-21)18-11-7-4-8-12-18;19-16(13-22-12-14-7-3-1-4-8-14)18-20-11-17(21-18)15-9-5-2-6-10-15;3-2(4,5)1(6)7/h8-19,21,24,31,33H,20,22-23H2,1-7H3,(H2,39,44)(H,40,41)(H,42,46);5-11,13,15,21,23,32H,12,14,27H2,1-4H3,(H2,28,33)(H,29,30);4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27);4-13,19H,14-16H2,1-3H3,(H,24,27)(H,25,28);3-13,16,20,23H,14-15H2,1-2H3,(H,22,24);1-11,16H,12-13,19H2,(H,20,21);(H,6,7)/t31-,33-;21-,23-;20-;19-;20-;16-;/m000000./s1
• InChIKey: LTUYGTMBDLSXCW-ZKGDBHIESA-N
• XLogP: 25.27
• TPSA: 599.11 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 52
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.22
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid (CID 169425210) is 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)c1ccccc1.CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.CC(C)N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](CO)c1ncc(-c2ccccc2)[nH]1.Cc1cc(C(N)=O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.N[C@@H](COCc1ccccc1)c1ncc(-c2ccccc2)[nH]1.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid?

The InChIKey is LTUYGTMBDLSXCW-ZKGDBHIESA-N. The full InChI is InChI=1S/C38H47N5O5.C26H33N5O3.C23H27N3O3.C23H28N2O5.C21H25N3O.C18H19N3O.C2HF3O2/c1-24(2)43(33(23-47-22-27-14-10-8-11-15-27)35-40-21-32(41-35)28-16-12-9-13-17-28)36(45)31(42-37(46)48-38(5,6)7)20-30-25(3)18-29(34(39)44)19-26(30)4;1-15(2)31(23(14-32)25-29-13-22(30-25)18-8-6-5-7-9-18)26(34)21(27)12-20-16(3)10-19(24(28)33)11-17(20)4;1-23(2,3)29-22(27)26-20(16-28-15-17-10-6-4-7-11-17)21-24-14-19(25-21)18-12-8-5-9-13-18;1-23(2,3)30-22(28)25-19(16-29-15-17-10-6-4-7-11-17)21(27)24-14-20(26)18-12-8-5-9-13-18;1-16(2)23-20(15-25-14-17-9-5-3-6-10-17)21-22-13-19(24-21)18-11-7-4-8-12-18;19-16(13-22-12-14-7-3-1-4-8-14)18-20-11-17(21-18)15-9-5-2-6-10-15;3-2(4,5)1(6)7/h8-19,21,24,31,33H,20,22-23H2,1-7H3,(H2,39,44)(H,40,41)(H,42,46);5-11,13,15,21,23,32H,12,14,27H2,1-4H3,(H2,28,33)(H,29,30);4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27);4-13,19H,14-16H2,1-3H3,(H,24,27)(H,25,28);3-13,16,20,23H,14-15H2,1-2H3,(H,22,24);1-11,16H,12-13,19H2,(H,20,21);(H,6,7)/t31-,33-;21-,23-;20-;19-;20-;16-;/m000000./s1.

What are the key properties of 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid?

4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 2666.22 g/mol, XLogP of 25.27, 52 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2-amino-3-[[(1R)-2-hydroxy-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-propan-2-ylamino]-3-oxopropyl]-3,5-dimethylbenzamide;tert-butyl N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxo-1-[[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]-propan-2-ylamino]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-oxo-1-(phenacylamino)-3-phenylmethoxypropan-2-yl]carbamate;tert-butyl N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]carbamate;(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethanamine;N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)-2-phenylmethoxyethyl]propan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 169425210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).