(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride

C29H40Cl2N4O4S — CID 162308246

About (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride (PubChem CID 162308246) has the molecular formula C29H40Cl2N4O4S and a molecular weight of 611.64 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride
• PubChem CID: 162308246
• Molecular Formula: C29H40Cl2N4O4S
• Molecular Weight: 611.64 g/mol
• Exact Mass: 610.21
• IUPAC Name: (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride
• SMILES: CCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)NC1(C)C)C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)N.Cl
• InChI: InChI=1S/C29H39ClN4O4S.ClH/c1-6-34(19-23-25(21-15-17-22(30)18-16-21)39(37,38)33-29(23,4)5)26(35)24(32-27(36)28(2,3)31)14-10-13-20-11-8-7-9-12-20;/h7-9,11-12,15-18,24,33H,6,10,13-14,19,31H2,1-5H3,(H,32,36);1H/t24-;/m1./s1
• InChIKey: GBGVCXXMFVBIIT-GJFSDDNBSA-N
• XLogP: 4.28
• TPSA: 121.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.64
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride?

The IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride (CID 162308246) is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride.

What is the SMILES notation for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride?

The canonical SMILES for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride is CCN(CC1=C(c2ccc(Cl)cc2)S(=O)(=O)NC1(C)C)C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)N.Cl.

What is the InChIKey of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride?

The InChIKey is GBGVCXXMFVBIIT-GJFSDDNBSA-N. The full InChI is InChI=1S/C29H39ClN4O4S.ClH/c1-6-34(19-23-25(21-15-17-22(30)18-16-21)39(37,38)33-29(23,4)5)26(35)24(32-27(36)28(2,3)31)14-10-13-20-11-8-7-9-12-20;/h7-9,11-12,15-18,24,33H,6,10,13-14,19,31H2,1-5H3,(H,32,36);1H/t24-;/m1./s1.

What are the key properties of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride?

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride has a molecular weight of 611.64 g/mol, XLogP of 4.28, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2H-1,2-thiazol-4-yl]methyl]-N-ethyl-5-phenylpentanamide;hydrochloride is sourced from PubChem (CID 162308246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).