(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid

C120H132Cl13N15O27S — CID 162144227

IUPAC(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(N[C@@H](CNC(=O)C1CCNCC1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CSCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl
InChIInChI=1S/C25H28Cl3N3O5.C24H26Cl3N3O5.2C24H27Cl2N3O6.C23H24Cl3N3O5S/c26-17-3-1-2-16(12-17)21(32)5-4-14-10-18(27)22(19(28)11-14)24(34)31-20(25(35)36)13-30-23(33)15-6-8-29-9-7-15;25-15-4-1-3-14(11-15)20(31)7-6-13-9-16(26)21(17(27)10-13)23(33)30-19(24(34)35)12-29-22(32)18-5-2-8-28-18;2*25-16-9-13(6-7-20(31)14-3-1-4-15(30)11-14)10-17(26)21(16)23(33)29-19(24(34)35)12-28-22(32)18-5-2-8-27-18;24-14-3-1-2-13(8-14)19(30)5-4-12-6-15(25)20(16(26)7-12)22(32)29-17(23(33)34)9-27-21(31)18-10-35-11-28-18/h1-3,10-12,15,20-21,29,32H,4-9,13H2,(H,30,33)(H,31,34)(H,35,36);1,3-4,9-11,18-20,28,31H,2,5-8,12H2,(H,29,32)(H,30,33)(H,34,35);2*1,3-4,9-11,18-20,27,30-31H,2,5-8,12H2,(H,28,32)(H,29,33)(H,34,35);1-3,6-8,17-19,28,30H,4-5,9-11H2,(H,27,31)(H,29,32)(H,33,34)/t20-,21?;18-,19-,20?;18-,19+,20?;18-,19-,20?;17-,18-,19?/m00100/s1
InChIKeyZKIITHJPFBDKRY-GPPHOXDQSA-N
MW2709.41 g/mol
LogP15.08
Rot. Bonds50

About (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid

(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 162144227) has the molecular formula C120H132Cl13N15O27S and a molecular weight of 2709.41 g/mol. Its IUPAC name is (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID162144227
Molecular FormulaC120H132Cl13N15O27S
Molecular Weight2709.41 g/mol
Exact Mass2701.51
IUPAC Name(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(N[C@@H](CNC(=O)C1CCNCC1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CSCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl
InChIInChI=1S/C25H28Cl3N3O5.C24H26Cl3N3O5.2C24H27Cl2N3O6.C23H24Cl3N3O5S/c26-17-3-1-2-16(12-17)21(32)5-4-14-10-18(27)22(19(28)11-14)24(34)31-20(25(35)36)13-30-23(33)15-6-8-29-9-7-15;25-15-4-1-3-14(11-15)20(31)7-6-13-9-16(26)21(17(27)10-13)23(33)30-19(24(34)35)12-29-22(32)18-5-2-8-28-18;2*25-16-9-13(6-7-20(31)14-3-1-4-15(30)11-14)10-17(26)21(16)23(33)29-19(24(34)35)12-28-22(32)18-5-2-8-27-18;24-14-3-1-2-13(8-14)19(30)5-4-12-6-15(25)20(16(26)7-12)22(32)29-17(23(33)34)9-27-21(31)18-10-35-11-28-18/h1-3,10-12,15,20-21,29,32H,4-9,13H2,(H,30,33)(H,31,34)(H,35,36);1,3-4,9-11,18-20,28,31H,2,5-8,12H2,(H,29,32)(H,30,33)(H,34,35);2*1,3-4,9-11,18-20,27,30-31H,2,5-8,12H2,(H,28,32)(H,29,33)(H,34,35);1-3,6-8,17-19,28,30H,4-5,9-11H2,(H,27,31)(H,29,32)(H,33,34)/t20-,21?;18-,19-,20?;18-,19+,20?;18-,19-,20?;17-,18-,19?/m00100/s1
InChIKeyZKIITHJPFBDKRY-GPPHOXDQSA-N
XLogP15.08
TPSA679.26 Ų
H-Bond Donors27
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002709.41
LogP ≤ 515.08
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1028

Analyze (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 11591756
2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid
CID 20610014
(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid
CID 11713607
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-[[(2R,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid
CID 159837045
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2-fluoroethylamino)-hydrazinylmethylidene]amino]propanoic acid
CID 88568096
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
3-[[(cyanoamino)-(2-methoxyethylamino)methylidene]amino]-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]propanoic acid
CID 73155332
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid (CID 162144227) is (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid is O=C(N[C@@H](CNC(=O)C1CCNCC1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@@H]1CSCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(Cl)c2)cc1Cl.O=C(N[C@@H](CNC(=O)[C@H]1CCCN1)C(=O)O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl.
What is the InChIKey of (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is ZKIITHJPFBDKRY-GPPHOXDQSA-N. The full InChI is InChI=1S/C25H28Cl3N3O5.C24H26Cl3N3O5.2C24H27Cl2N3O6.C23H24Cl3N3O5S/c26-17-3-1-2-16(12-17)21(32)5-4-14-10-18(27)22(19(28)11-14)24(34)31-20(25(35)36)13-30-23(33)15-6-8-29-9-7-15;25-15-4-1-3-14(11-15)20(31)7-6-13-9-16(26)21(17(27)10-13)23(33)30-19(24(34)35)12-29-22(32)18-5-2-8-28-18;2*25-16-9-13(6-7-20(31)14-3-1-4-15(30)11-14)10-17(26)21(16)23(33)29-19(24(34)35)12-28-22(32)18-5-2-8-27-18;24-14-3-1-2-13(8-14)19(30)5-4-12-6-15(25)20(16(26)7-12)22(32)29-17(23(33)34)9-27-21(31)18-10-35-11-28-18/h1-3,10-12,15,20-21,29,32H,4-9,13H2,(H,30,33)(H,31,34)(H,35,36);1,3-4,9-11,18-20,28,31H,2,5-8,12H2,(H,29,32)(H,30,33)(H,34,35);2*1,3-4,9-11,18-20,27,30-31H,2,5-8,12H2,(H,28,32)(H,29,33)(H,34,35);1-3,6-8,17-19,28,30H,4-5,9-11H2,(H,27,31)(H,29,32)(H,33,34)/t20-,21?;18-,19-,20?;18-,19+,20?;18-,19-,20?;17-,18-,19?/m00100/s1.
What are the key properties of (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 2709.41 g/mol, XLogP of 15.08, 50 rotatable bonds, 27 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-(piperidine-4-carbonylamino)propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-(3-chlorophenyl)-3-hydroxypropyl]benzoyl]amino]-3-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid;(2S)-2-[[2,6-dichloro-4-[3-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 162144227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).