(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide

C146H169Cl2N25O21S4 — CID 160575574

IUPAC(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCOc1ccccc1C1CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2c(C)cccc2C)cs1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C33H41N7O4S.C33H40N6O4S.C28H33N3O5S.C27H29N5O4S.C25H26Cl2N4O4/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-22-35-26-11-3-4-12-28(26)39(22)20-25-21-44-29(36-25)18-34-32(42)30(40)31(41)33(43)38-16-8-13-27(38)24-10-7-9-23(17-24)19-37-14-5-2-6-15-37;1-17-8-6-9-18(2)21(17)14-19-16-37-24(30-19)15-29-27(34)25(32)26(33)28(35)31-13-7-11-22(31)20-10-4-5-12-23(20)36-3;1-17-29-20-10-5-6-11-22(20)32(17)15-19-16-37-23(30-19)14-28-26(35)24(33)25(34)27(36)31-13-7-12-21(31)18-8-3-2-4-9-18;26-18-7-3-6-16(13-18)21-9-4-11-31(21)25(35)23(33)22(32)24(34)28-14-19-10-12-30(29-19)15-17-5-1-2-8-20(17)27/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);3-4,7,9-12,17,21,27,30-31,40-41H,2,5-6,8,13-16,18-20H2,1H3,(H,34,42);4-6,8-10,12,16,22,25-26,32-33H,7,11,13-15H2,1-3H3,(H,29,34);2-6,8-11,16,21,24-25,33-34H,7,12-15H2,1H3,(H,28,35);1-3,5-8,10,12-13,21-23,32-33H,4,9,11,14-15H2,(H,28,34)/t2*27?,30-,31-;22?,25-,26-;21?,24-,25-;21-,22-,23-/m11111/s1
InChIKeyRBCJNUQEHCGJOL-OIZNKZLRSA-N
MW2809.29 g/mol
LogP14.39
Rot. Bonds45

About (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide

(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide (PubChem CID 160575574) has the molecular formula C146H169Cl2N25O21S4 and a molecular weight of 2809.29 g/mol. Its IUPAC name is (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide
PubChem CID160575574
Molecular FormulaC146H169Cl2N25O21S4
Molecular Weight2809.29 g/mol
Exact Mass2806.12
IUPAC Name(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCOc1ccccc1C1CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2c(C)cccc2C)cs1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C33H41N7O4S.C33H40N6O4S.C28H33N3O5S.C27H29N5O4S.C25H26Cl2N4O4/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-22-35-26-11-3-4-12-28(26)39(22)20-25-21-44-29(36-25)18-34-32(42)30(40)31(41)33(43)38-16-8-13-27(38)24-10-7-9-23(17-24)19-37-14-5-2-6-15-37;1-17-8-6-9-18(2)21(17)14-19-16-37-24(30-19)15-29-27(34)25(32)26(33)28(35)31-13-7-11-22(31)20-10-4-5-12-23(20)36-3;1-17-29-20-10-5-6-11-22(20)32(17)15-19-16-37-23(30-19)14-28-26(35)24(33)25(34)27(36)31-13-7-12-21(31)18-8-3-2-4-9-18;26-18-7-3-6-16(13-18)21-9-4-11-31(21)25(35)23(33)22(32)24(34)28-14-19-10-12-30(29-19)15-17-5-1-2-8-20(17)27/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);3-4,7,9-12,17,21,27,30-31,40-41H,2,5-6,8,13-16,18-20H2,1H3,(H,34,42);4-6,8-10,12,16,22,25-26,32-33H,7,11,13-15H2,1-3H3,(H,29,34);2-6,8-11,16,21,24-25,33-34H,7,12-15H2,1H3,(H,28,35);1-3,5-8,10,12-13,21-23,32-33H,4,9,11,14-15H2,(H,28,34)/t2*27?,30-,31-;22?,25-,26-;21?,24-,25-;21-,22-,23-/m11111/s1
InChIKeyRBCJNUQEHCGJOL-OIZNKZLRSA-N
XLogP14.39
TPSA591.14 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002809.29
LogP ≤ 514.39
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide (CID 160575574) is (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide is COc1ccccc1C1CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2c(C)cccc2C)cs1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCCCC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccc(CN3CCN(C)CC3)c2)n1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccc2)n1.O=C(NCc1ccn(Cc2ccccc2Cl)n1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide?
The InChIKey is RBCJNUQEHCGJOL-OIZNKZLRSA-N. The full InChI is InChI=1S/C33H41N7O4S.C33H40N6O4S.C28H33N3O5S.C27H29N5O4S.C25H26Cl2N4O4/c1-22-35-26-9-3-4-10-28(26)40(22)20-25-21-45-29(36-25)18-34-32(43)30(41)31(42)33(44)39-12-6-11-27(39)24-8-5-7-23(17-24)19-38-15-13-37(2)14-16-38;1-22-35-26-11-3-4-12-28(26)39(22)20-25-21-44-29(36-25)18-34-32(42)30(40)31(41)33(43)38-16-8-13-27(38)24-10-7-9-23(17-24)19-37-14-5-2-6-15-37;1-17-8-6-9-18(2)21(17)14-19-16-37-24(30-19)15-29-27(34)25(32)26(33)28(35)31-13-7-11-22(31)20-10-4-5-12-23(20)36-3;1-17-29-20-10-5-6-11-22(20)32(17)15-19-16-37-23(30-19)14-28-26(35)24(33)25(34)27(36)31-13-7-12-21(31)18-8-3-2-4-9-18;26-18-7-3-6-16(13-18)21-9-4-11-31(21)25(35)23(33)22(32)24(34)28-14-19-10-12-30(29-19)15-17-5-1-2-8-20(17)27/h3-5,7-10,17,21,27,30-31,41-42H,6,11-16,18-20H2,1-2H3,(H,34,43);3-4,7,9-12,17,21,27,30-31,40-41H,2,5-6,8,13-16,18-20H2,1H3,(H,34,42);4-6,8-10,12,16,22,25-26,32-33H,7,11,13-15H2,1-3H3,(H,29,34);2-6,8-11,16,21,24-25,33-34H,7,12-15H2,1H3,(H,28,35);1-3,5-8,10,12-13,21-23,32-33H,4,9,11,14-15H2,(H,28,34)/t2*27?,30-,31-;22?,25-,26-;21?,24-,25-;21-,22-,23-/m11111/s1.
What are the key properties of (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide?
(2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide has a molecular weight of 2809.29 g/mol, XLogP of 14.39, 45 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methyl]-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-[2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxo-4-[2-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-1-yl]butanamide;(2R,3R)-N-[[4-[(2,6-dimethylphenyl)methyl]-1,3-thiazol-2-yl]methyl]-2,3-dihydroxy-4-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 160575574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).