(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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide

C177H209ClN24O30S — CID 158285011

IUPAC(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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide
SMILESO=C(NCc1ccc(OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cn(-c3ccccc3)nn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2csc(-c3ccccc3)n2)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
InChIInChI=1S/C32H34ClN5O5.C31H32N4O5S.C30H32N6O5.C29H39N3O5.C28H37N3O5.C27H35N3O5/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;36-27(28(37)31(39)35-17-15-34(16-18-35)25-9-5-2-6-10-25)29(38)32-19-22-11-13-26(14-12-22)40-20-24-21-41-30(33-24)23-7-3-1-4-8-23;37-27(28(38)30(40)35-17-15-34(16-18-35)24-7-3-1-4-8-24)29(39)31-19-22-11-13-26(14-12-22)41-21-23-20-36(33-32-23)25-9-5-2-6-10-25;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;32-25(26(33)28(35)31-17-15-30(16-18-31)23-8-2-1-3-9-23)27(34)29-20-22-10-12-24(13-11-22)36-19-14-21-6-4-5-7-21;31-24(25(32)27(34)30-16-14-29(15-17-30)22-8-2-1-3-9-22)26(33)28-18-20-10-12-23(13-11-20)35-19-21-6-4-5-7-21/h1-15,29-30,39-40H,16-22H2,(H,35,41);1-14,21,27-28,36-37H,15-20H2,(H,32,38);1-14,20,27-28,37-38H,15-19,21H2,(H,31,39);2,5-6,9-14,22,26-27,33-34H,1,3-4,7-8,15-21H2,(H,30,35);1-3,8-13,21,25-26,32-33H,4-7,14-20H2,(H,29,34);1-3,8-13,21,24-25,31-32H,4-7,14-19H2,(H,28,33)/t29-,30-;2*27-,28-;26-,27-;25-,26-;24-,25-/m111111/s1
InChIKeyGKRCLVZKHRWNCW-UZYWJSMOSA-N
MW3220.28 g/mol
LogP14.46
Rot. Bonds60

About (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide (PubChem CID 158285011) has the molecular formula C177H209ClN24O30S and a molecular weight of 3220.28 g/mol. Its IUPAC name is (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide.

Molecular Properties

Compound Name(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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide
PubChem CID158285011
Molecular FormulaC177H209ClN24O30S
Molecular Weight3220.28 g/mol
Exact Mass3217.50
IUPAC Name(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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide
SMILESO=C(NCc1ccc(OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cn(-c3ccccc3)nn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2csc(-c3ccccc3)n2)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
InChIInChI=1S/C32H34ClN5O5.C31H32N4O5S.C30H32N6O5.C29H39N3O5.C28H37N3O5.C27H35N3O5/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;36-27(28(37)31(39)35-17-15-34(16-18-35)25-9-5-2-6-10-25)29(38)32-19-22-11-13-26(14-12-22)40-20-24-21-41-30(33-24)23-7-3-1-4-8-23;37-27(28(38)30(40)35-17-15-34(16-18-35)24-7-3-1-4-8-24)29(39)31-19-22-11-13-26(14-12-22)41-21-23-20-36(33-32-23)25-9-5-2-6-10-25;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;32-25(26(33)28(35)31-17-15-30(16-18-31)23-8-2-1-3-9-23)27(34)29-20-22-10-12-24(13-11-22)36-19-14-21-6-4-5-7-21;31-24(25(32)27(34)30-16-14-29(15-17-30)22-8-2-1-3-9-22)26(33)28-18-20-10-12-23(13-11-20)35-19-21-6-4-5-7-21/h1-15,29-30,39-40H,16-22H2,(H,35,41);1-14,21,27-28,36-37H,15-20H2,(H,32,38);1-14,20,27-28,37-38H,15-19,21H2,(H,31,39);2,5-6,9-14,22,26-27,33-34H,1,3-4,7-8,15-21H2,(H,30,35);1-3,8-13,21,25-26,32-33H,4-7,14-20H2,(H,29,34);1-3,8-13,21,24-25,31-32H,4-7,14-19H2,(H,28,33)/t29-,30-;2*27-,28-;26-,27-;25-,26-;24-,25-/m111111/s1
InChIKeyGKRCLVZKHRWNCW-UZYWJSMOSA-N
XLogP14.46
TPSA675.46 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds60
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003220.28
LogP ≤ 514.46
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Analyze (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide with MolForge

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Related Compounds

(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-but-2-ynoxyphenyl)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 157869781
CID 158188375
CID 158188375
CID 158261377
CID 158261377
(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-[(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-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide
CID 158598695
CID 158954217
CID 158954217
(2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-N-[[4-(3-methylphenoxy)phenyl]methyl]-4-oxobutanamide;(2R,3R)-N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[3-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-N-[(4-phenoxyphenyl)methyl]-N'-(2-phenylethyl)butanediamide;(2R,3R)-N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 161606472

Frequently Asked Questions

What is the IUPAC name of (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide?
The IUPAC name of (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide (CID 158285011) is (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide.
What is the SMILES notation for (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide?
The canonical SMILES for (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide is O=C(NCc1ccc(OCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2cn(-c3ccccc3)nn2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1.O=C(NCc1ccc(OCc2csc(-c3ccccc3)n2)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.
What is the InChIKey of (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide?
The InChIKey is GKRCLVZKHRWNCW-UZYWJSMOSA-N. The full InChI is InChI=1S/C32H34ClN5O5.C31H32N4O5S.C30H32N6O5.C29H39N3O5.C28H37N3O5.C27H35N3O5/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;36-27(28(37)31(39)35-17-15-34(16-18-35)25-9-5-2-6-10-25)29(38)32-19-22-11-13-26(14-12-22)40-20-24-21-41-30(33-24)23-7-3-1-4-8-23;37-27(28(38)30(40)35-17-15-34(16-18-35)24-7-3-1-4-8-24)29(39)31-19-22-11-13-26(14-12-22)41-21-23-20-36(33-32-23)25-9-5-2-6-10-25;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;32-25(26(33)28(35)31-17-15-30(16-18-31)23-8-2-1-3-9-23)27(34)29-20-22-10-12-24(13-11-22)36-19-14-21-6-4-5-7-21;31-24(25(32)27(34)30-16-14-29(15-17-30)22-8-2-1-3-9-22)26(33)28-18-20-10-12-23(13-11-20)35-19-21-6-4-5-7-21/h1-15,29-30,39-40H,16-22H2,(H,35,41);1-14,21,27-28,36-37H,15-20H2,(H,32,38);1-14,20,27-28,37-38H,15-19,21H2,(H,31,39);2,5-6,9-14,22,26-27,33-34H,1,3-4,7-8,15-21H2,(H,30,35);1-3,8-13,21,25-26,32-33H,4-7,14-20H2,(H,29,34);1-3,8-13,21,24-25,31-32H,4-7,14-19H2,(H,28,33)/t29-,30-;2*27-,28-;26-,27-;25-,26-;24-,25-/m111111/s1.
What are the key properties of (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide has a molecular weight of 3220.28 g/mol, XLogP of 14.46, 60 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (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-cyclopentylethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-N-[[4-(cyclopentylmethoxy)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-[[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]butanamide is sourced from PubChem (CID 158285011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).