(2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide

C232H278ClN31O40S — CID 158261377

IUPAC(2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
SMILESCC#CCOc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.CC(COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1)C1CCCCC1.CC1CC(C)CC(Oc2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCN(c4ccccc4)CC3)cc2)C1.Cn1cncc1COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.O=C(NCc1ccc(OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nc3ccccc3s2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nccn2Cc2ccc(Cl)cc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nccn2Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C32H34ClN5O5.C32H35N5O5.C30H41N3O5.C29H30N4O5S.2C29H39N3O5.C26H31N5O5.C25H29N3O5/c33-25-10-6-24(7-11-25)21-38-15-14-34-28(38)22-43-27-12-8-23(9-13-27)20-35-31(41)29(39)30(40)32(42)37-18-16-36(17-19-37)26-4-2-1-3-5-26;38-29(30(39)32(41)36-19-17-35(18-20-36)26-9-5-2-6-10-26)31(40)34-21-24-11-13-27(14-12-24)42-23-28-33-15-16-37(28)22-25-7-3-1-4-8-25;1-22(24-8-4-2-5-9-24)21-38-26-14-12-23(13-15-26)20-31-29(36)27(34)28(35)30(37)33-18-16-32(17-19-33)25-10-6-3-7-11-25;34-26(27(35)29(37)33-16-14-32(15-17-33)21-6-2-1-3-7-21)28(36)30-18-20-10-12-22(13-11-20)38-19-25-31-23-8-4-5-9-24(23)39-25;1-20-16-21(2)18-25(17-20)37-24-10-8-22(9-11-24)19-30-28(35)26(33)27(34)29(36)32-14-12-31(13-15-32)23-6-4-3-5-7-23;33-26(27(34)29(36)32-18-16-31(17-19-32)24-9-5-2-6-10-24)28(35)30-21-23-11-13-25(14-12-23)37-20-15-22-7-3-1-4-8-22;1-29-18-27-16-21(29)17-36-22-9-7-19(8-10-22)15-28-25(34)23(32)24(33)26(35)31-13-11-30(12-14-31)20-5-3-2-4-6-20;1-2-3-17-33-21-11-9-19(10-12-21)18-26-24(31)22(29)23(30)25(32)28-15-13-27(14-16-28)20-7-5-4-6-8-20/h1-15,29-30,39-40H,16-22H2,(H,35,41);1-16,29-30,38-39H,17-23H2,(H,34,40);3,6-7,10-15,22,24,27-28,34-35H,2,4-5,8-9,16-21H2,1H3,(H,31,36);1-13,26-27,34-35H,14-19H2,(H,30,36);3-11,20-21,25-27,33-34H,12-19H2,1-2H3,(H,30,35);2,5-6,9-14,22,26-27,33-34H,1,3-4,7-8,15-21H2,(H,30,35);2-10,16,18,23-24,32-33H,11-15,17H2,1H3,(H,28,34);4-12,22-23,29-30H,13-18H2,1H3,(H,26,31)/t2*29-,30-;22?,27-,28-;26-,27-;20?,21?,25?,26-,27-;26-,27-;23-,24-;22-,23-/m11111111/s1
InChIKeyGHXHJZREYIPYFW-JCXHXTJDSA-N
MW4208.47 g/mol
LogP17.34
Rot. Bonds76

About (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide

(2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide (PubChem CID 158261377) has the molecular formula C232H278ClN31O40S and a molecular weight of 4208.47 g/mol. Its IUPAC name is (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
PubChem CID158261377
Molecular FormulaC232H278ClN31O40S
Molecular Weight4208.47 g/mol
Exact Mass4205.01
IUPAC Name(2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
SMILESCC#CCOc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.CC(COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1)C1CCCCC1.CC1CC(C)CC(Oc2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCN(c4ccccc4)CC3)cc2)C1.Cn1cncc1COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.O=C(NCc1ccc(OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nc3ccccc3s2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nccn2Cc2ccc(Cl)cc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nccn2Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C32H34ClN5O5.C32H35N5O5.C30H41N3O5.C29H30N4O5S.2C29H39N3O5.C26H31N5O5.C25H29N3O5/c33-25-10-6-24(7-11-25)21-38-15-14-34-28(38)22-43-27-12-8-23(9-13-27)20-35-31(41)29(39)30(40)32(42)37-18-16-36(17-19-37)26-4-2-1-3-5-26;38-29(30(39)32(41)36-19-17-35(18-20-36)26-9-5-2-6-10-26)31(40)34-21-24-11-13-27(14-12-24)42-23-28-33-15-16-37(28)22-25-7-3-1-4-8-25;1-22(24-8-4-2-5-9-24)21-38-26-14-12-23(13-15-26)20-31-29(36)27(34)28(35)30(37)33-18-16-32(17-19-33)25-10-6-3-7-11-25;34-26(27(35)29(37)33-16-14-32(15-17-33)21-6-2-1-3-7-21)28(36)30-18-20-10-12-22(13-11-20)38-19-25-31-23-8-4-5-9-24(23)39-25;1-20-16-21(2)18-25(17-20)37-24-10-8-22(9-11-24)19-30-28(35)26(33)27(34)29(36)32-14-12-31(13-15-32)23-6-4-3-5-7-23;33-26(27(34)29(36)32-18-16-31(17-19-32)24-9-5-2-6-10-24)28(35)30-21-23-11-13-25(14-12-23)37-20-15-22-7-3-1-4-8-22;1-29-18-27-16-21(29)17-36-22-9-7-19(8-10-22)15-28-25(34)23(32)24(33)26(35)31-13-11-30(12-14-31)20-5-3-2-4-6-20;1-2-3-17-33-21-11-9-19(10-12-21)18-26-24(31)22(29)23(30)25(32)28-15-13-27(14-16-28)20-7-5-4-6-8-20/h1-15,29-30,39-40H,16-22H2,(H,35,41);1-16,29-30,38-39H,17-23H2,(H,34,40);3,6-7,10-15,22,24,27-28,34-35H,2,4-5,8-9,16-21H2,1H3,(H,31,36);1-13,26-27,34-35H,14-19H2,(H,30,36);3-11,20-21,25-27,33-34H,12-19H2,1-2H3,(H,30,35);2,5-6,9-14,22,26-27,33-34H,1,3-4,7-8,15-21H2,(H,30,35);2-10,16,18,23-24,32-33H,11-15,17H2,1H3,(H,28,34);4-12,22-23,29-30H,13-18H2,1H3,(H,26,31)/t2*29-,30-;22?,27-,28-;26-,27-;20?,21?,25?,26-,27-;26-,27-;23-,24-;22-,23-/m11111111/s1
InChIKeyGHXHJZREYIPYFW-JCXHXTJDSA-N
XLogP17.34
TPSA885.07 Ų
H-Bond Donors24
H-Bond Acceptors56
Rotatable Bonds76
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004208.47
LogP ≤ 517.34
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1056

Analyze (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The IUPAC name of (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide (CID 158261377) is (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide.
What is the SMILES notation for (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The canonical SMILES for (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide is CC#CCOc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.CC(COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1)C1CCCCC1.CC1CC(C)CC(Oc2ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3CCN(c4ccccc4)CC3)cc2)C1.Cn1cncc1COc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCN(c3ccccc3)CC2)cc1.O=C(NCc1ccc(OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nc3ccccc3s2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nccn2Cc2ccc(Cl)cc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2nccn2Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The InChIKey is GHXHJZREYIPYFW-JCXHXTJDSA-N. The full InChI is InChI=1S/C32H34ClN5O5.C32H35N5O5.C30H41N3O5.C29H30N4O5S.2C29H39N3O5.C26H31N5O5.C25H29N3O5/c33-25-10-6-24(7-11-25)21-38-15-14-34-28(38)22-43-27-12-8-23(9-13-27)20-35-31(41)29(39)30(40)32(42)37-18-16-36(17-19-37)26-4-2-1-3-5-26;38-29(30(39)32(41)36-19-17-35(18-20-36)26-9-5-2-6-10-26)31(40)34-21-24-11-13-27(14-12-24)42-23-28-33-15-16-37(28)22-25-7-3-1-4-8-25;1-22(24-8-4-2-5-9-24)21-38-26-14-12-23(13-15-26)20-31-29(36)27(34)28(35)30(37)33-18-16-32(17-19-33)25-10-6-3-7-11-25;34-26(27(35)29(37)33-16-14-32(15-17-33)21-6-2-1-3-7-21)28(36)30-18-20-10-12-22(13-11-20)38-19-25-31-23-8-4-5-9-24(23)39-25;1-20-16-21(2)18-25(17-20)37-24-10-8-22(9-11-24)19-30-28(35)26(33)27(34)29(36)32-14-12-31(13-15-32)23-6-4-3-5-7-23;33-26(27(34)29(36)32-18-16-31(17-19-32)24-9-5-2-6-10-24)28(35)30-21-23-11-13-25(14-12-23)37-20-15-22-7-3-1-4-8-22;1-29-18-27-16-21(29)17-36-22-9-7-19(8-10-22)15-28-25(34)23(32)24(33)26(35)31-13-11-30(12-14-31)20-5-3-2-4-6-20;1-2-3-17-33-21-11-9-19(10-12-21)18-26-24(31)22(29)23(30)25(32)28-15-13-27(14-16-28)20-7-5-4-6-8-20/h1-15,29-30,39-40H,16-22H2,(H,35,41);1-16,29-30,38-39H,17-23H2,(H,34,40);3,6-7,10-15,22,24,27-28,34-35H,2,4-5,8-9,16-21H2,1H3,(H,31,36);1-13,26-27,34-35H,14-19H2,(H,30,36);3-11,20-21,25-27,33-34H,12-19H2,1-2H3,(H,30,35);2,5-6,9-14,22,26-27,33-34H,1,3-4,7-8,15-21H2,(H,30,35);2-10,16,18,23-24,32-33H,11-15,17H2,1H3,(H,28,34);4-12,22-23,29-30H,13-18H2,1H3,(H,26,31)/t2*29-,30-;22?,27-,28-;26-,27-;20?,21?,25?,26-,27-;26-,27-;23-,24-;22-,23-/m11111111/s1.
What are the key properties of (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
(2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide has a molecular weight of 4208.47 g/mol, XLogP of 17.34, 76 rotatable bonds, 24 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[(1-benzylimidazol-2-yl)methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[(4-but-2-ynoxyphenyl)methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(2-cyclohexylpropoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide is sourced from PubChem (CID 158261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).