(2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride

C145H179Cl4N21O19 — CID 159819629

IUPAC(2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride
SMILESCC(C)(C)OC(=O)C[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(C3CCN(C(=O)C4CCCN4C(=O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC3)cc2)[nH]1)c1ccccc1.Cl.Cl.Cl.NC(C(=O)N1CCCC1C(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4C(=O)[C@H](N)c4ccccc4)[nH]3)cc2)CC1)c1ccccc1.O=C(C[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(C3CCN(C(=O)C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)CC3)cc2)[nH]1)c1ccccc1)N1CCOCC1.O=C(Cl)C1CCOCC1
InChIInChI=1S/C50H60N8O7.C50H62N6O7.C39H45N7O3.C6H9ClO2.3ClH/c59-44(54-25-29-64-30-26-54)33-40(37-9-3-1-4-10-37)47(60)57-21-7-13-42(57)46-51-34-41(52-46)38-17-15-35(16-18-38)36-19-23-55(24-20-36)48(61)43-14-8-22-58(43)49(62)45(39-11-5-2-6-12-39)53-50(63)56-27-31-65-32-28-56;1-49(2,3)62-42(57)31-38(35-15-9-7-10-16-35)45(58)55-27-13-19-40(55)44-51-32-39(52-44)36-23-21-33(22-24-36)34-25-29-54(30-26-34)46(59)41-20-14-28-56(41)47(60)43(37-17-11-8-12-18-37)53-48(61)63-50(4,5)6;40-34(29-9-3-1-4-10-29)38(48)45-21-7-13-32(45)36-42-25-31(43-36)28-17-15-26(16-18-28)27-19-23-44(24-20-27)37(47)33-14-8-22-46(33)39(49)35(41)30-11-5-2-6-12-30;7-6(8)5-1-3-9-4-2-5;;;/h1-6,9-12,15-18,34,36,40,42-43,45H,7-8,13-14,19-33H2,(H,51,52)(H,53,63);7-12,15-18,21-24,32,34,38,40-41,43H,13-14,19-20,25-31H2,1-6H3,(H,51,52)(H,53,61);1-6,9-12,15-18,25,27,32-35H,7-8,13-14,19-24,40-41H2,(H,42,43);5H,1-4H2;3*1H/t40-,42?,43?,45?;38-,40?,41?,43?;32?,33?,34-,35?;;;;/m111..../s1
InChIKeyCVJMZCJPJMEIBX-GIWOJMSJSA-N
MW2661.97 g/mol
LogP20.75
Rot. Bonds31

About (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride

(2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride (PubChem CID 159819629) has the molecular formula C145H179Cl4N21O19 and a molecular weight of 2661.97 g/mol. Its IUPAC name is (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride
PubChem CID159819629
Molecular FormulaC145H179Cl4N21O19
Molecular Weight2661.97 g/mol
Exact Mass2658.24
IUPAC Name(2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride
SMILESCC(C)(C)OC(=O)C[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(C3CCN(C(=O)C4CCCN4C(=O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC3)cc2)[nH]1)c1ccccc1.Cl.Cl.Cl.NC(C(=O)N1CCCC1C(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4C(=O)[C@H](N)c4ccccc4)[nH]3)cc2)CC1)c1ccccc1.O=C(C[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(C3CCN(C(=O)C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)CC3)cc2)[nH]1)c1ccccc1)N1CCOCC1.O=C(Cl)C1CCOCC1
InChIInChI=1S/C50H60N8O7.C50H62N6O7.C39H45N7O3.C6H9ClO2.3ClH/c59-44(54-25-29-64-30-26-54)33-40(37-9-3-1-4-10-37)47(60)57-21-7-13-42(57)46-51-34-41(52-46)38-17-15-35(16-18-38)36-19-23-55(24-20-36)48(61)43-14-8-22-58(43)49(62)45(39-11-5-2-6-12-39)53-50(63)56-27-31-65-32-28-56;1-49(2,3)62-42(57)31-38(35-15-9-7-10-16-35)45(58)55-27-13-19-40(55)44-51-32-39(52-44)36-23-21-33(22-24-36)34-25-29-54(30-26-34)46(59)41-20-14-28-56(41)47(60)43(37-17-11-8-12-18-37)53-48(61)63-50(4,5)6;40-34(29-9-3-1-4-10-29)38(48)45-21-7-13-32(45)36-42-25-31(43-36)28-17-15-26(16-18-28)27-19-23-44(24-20-27)37(47)33-14-8-22-46(33)39(49)35(41)30-11-5-2-6-12-30;7-6(8)5-1-3-9-4-2-5;;;/h1-6,9-12,15-18,34,36,40,42-43,45H,7-8,13-14,19-33H2,(H,51,52)(H,53,63);7-12,15-18,21-24,32,34,38,40-41,43H,13-14,19-20,25-31H2,1-6H3,(H,51,52)(H,53,61);1-6,9-12,15-18,25,27,32-35H,7-8,13-14,19-24,40-41H2,(H,42,43);5H,1-4H2;3*1H/t40-,42?,43?,45?;38-,40?,41?,43?;32?,33?,34-,35?;;;;/m111..../s1
InChIKeyCVJMZCJPJMEIBX-GIWOJMSJSA-N
XLogP20.75
TPSA482.91 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.97
LogP ≤ 520.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride?
The IUPAC name of (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride (CID 159819629) is (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride is CC(C)(C)OC(=O)C[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(C3CCN(C(=O)C4CCCN4C(=O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC3)cc2)[nH]1)c1ccccc1.Cl.Cl.Cl.NC(C(=O)N1CCCC1C(=O)N1CCC(c2ccc(-c3cnc(C4CCCN4C(=O)[C@H](N)c4ccccc4)[nH]3)cc2)CC1)c1ccccc1.O=C(C[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(C3CCN(C(=O)C4CCCN4C(=O)C(NC(=O)N4CCOCC4)c4ccccc4)CC3)cc2)[nH]1)c1ccccc1)N1CCOCC1.O=C(Cl)C1CCOCC1.
What is the InChIKey of (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride?
The InChIKey is CVJMZCJPJMEIBX-GIWOJMSJSA-N. The full InChI is InChI=1S/C50H60N8O7.C50H62N6O7.C39H45N7O3.C6H9ClO2.3ClH/c59-44(54-25-29-64-30-26-54)33-40(37-9-3-1-4-10-37)47(60)57-21-7-13-42(57)46-51-34-41(52-46)38-17-15-35(16-18-38)36-19-23-55(24-20-36)48(61)43-14-8-22-58(43)49(62)45(39-11-5-2-6-12-39)53-50(63)56-27-31-65-32-28-56;1-49(2,3)62-42(57)31-38(35-15-9-7-10-16-35)45(58)55-27-13-19-40(55)44-51-32-39(52-44)36-23-21-33(22-24-36)34-25-29-54(30-26-34)46(59)41-20-14-28-56(41)47(60)43(37-17-11-8-12-18-37)53-48(61)63-50(4,5)6;40-34(29-9-3-1-4-10-29)38(48)45-21-7-13-32(45)36-42-25-31(43-36)28-17-15-26(16-18-28)27-19-23-44(24-20-27)37(47)33-14-8-22-46(33)39(49)35(41)30-11-5-2-6-12-30;7-6(8)5-1-3-9-4-2-5;;;/h1-6,9-12,15-18,34,36,40,42-43,45H,7-8,13-14,19-33H2,(H,51,52)(H,53,63);7-12,15-18,21-24,32,34,38,40-41,43H,13-14,19-20,25-31H2,1-6H3,(H,51,52)(H,53,61);1-6,9-12,15-18,25,27,32-35H,7-8,13-14,19-24,40-41H2,(H,42,43);5H,1-4H2;3*1H/t40-,42?,43?,45?;38-,40?,41?,43?;32?,33?,34-,35?;;;;/m111..../s1.
What are the key properties of (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride?
(2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride has a molecular weight of 2661.97 g/mol, XLogP of 20.75, 31 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[2-[5-[4-[1-[1-(2-amino-2-phenylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;tert-butyl (3R)-4-[2-[5-[4-[1-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;N-[2-[2-[4-[4-[2-[1-[(2R)-4-morpholin-4-yl-4-oxo-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]morpholine-4-carboxamide;oxane-4-carbonyl chloride;trihydrochloride is sourced from PubChem (CID 159819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).