N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride

C115H157Cl9N20O22 — CID 163767891

About N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride (PubChem CID 163767891) has the molecular formula C115H157Cl9N20O22 and a molecular weight of 2490.72 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride
• PubChem CID: 163767891
• Molecular Formula: C115H157Cl9N20O22
• Molecular Weight: 2490.72 g/mol
• Exact Mass: 2484.90
• IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride
• SMILES: CC(C)(C)C[C@H](NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.CC(C)(C)C[C@H](NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](C)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1.Cl.O=C(O)c1cc2c(Cl)ccc(Cl)c2[nH]1
• InChI: InChI=1S/C25H32Cl2N4O5.C24H31Cl2N5O4.C24H29Cl2N5O3.C17H30N2O4.C16H29N3O4.C9H5Cl2NO2.ClH/c1-25(2,3)12-19(31-22(33)17-11-14-15(26)7-8-16(27)20(14)29-17)23(34)30-18(24(35)36-4)10-13-6-5-9-28-21(13)32;1-24(2,3)11-18(23(35)30-16(20(27)32)9-12-5-4-8-28-21(12)33)31-22(34)17-10-13-14(25)6-7-15(26)19(13)29-17;1-24(2,3)11-19(23(34)29-14(12-27)9-13-5-4-8-28-21(13)32)31-22(33)18-10-15-16(25)6-7-17(26)20(15)30-18;1-11(10-17(2,3)4)14(20)19-13(16(22)23-5)9-12-7-6-8-18-15(12)21;1-16(2,3)9-11(17)14(21)19-12(15(22)23-4)8-10-6-5-7-18-13(10)20;10-5-1-2-6(11)8-4(5)3-7(12-8)9(13)14;/h7-8,11,13,18-19,29H,5-6,9-10,12H2,1-4H3,(H,28,32)(H,30,34)(H,31,33);6-7,10,12,16,18,29H,4-5,8-9,11H2,1-3H3,(H2,27,32)(H,28,33)(H,30,35)(H,31,34);6-7,10,13-14,19,30H,4-5,8-9,11H2,1-3H3,(H,28,32)(H,29,34)(H,31,33);11-13H,6-10H2,1-5H3,(H,18,21)(H,19,20);10-12H,5-9,17H2,1-4H3,(H,18,20)(H,19,21);1-3,12H,(H,13,14);1H/t13-,18-,19-;12-,16-,18-;13-,14-,19-;11-,12-,13-;10-,11-,12-;;/m00000../s1
• InChIKey: RYLQCLDTWQAGRU-UGPFLSIGSA-N
• XLogP: 15.96
• TPSA: 650.56 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2490.72
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride?

The IUPAC name of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride (CID 163767891) is N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride is CC(C)(C)C[C@H](NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.CC(C)(C)C[C@H](NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](C)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1.Cl.O=C(O)c1cc2c(Cl)ccc(Cl)c2[nH]1.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride?

The InChIKey is RYLQCLDTWQAGRU-UGPFLSIGSA-N. The full InChI is InChI=1S/C25H32Cl2N4O5.C24H31Cl2N5O4.C24H29Cl2N5O3.C17H30N2O4.C16H29N3O4.C9H5Cl2NO2.ClH/c1-25(2,3)12-19(31-22(33)17-11-14-15(26)7-8-16(27)20(14)29-17)23(34)30-18(24(35)36-4)10-13-6-5-9-28-21(13)32;1-24(2,3)11-18(23(35)30-16(20(27)32)9-12-5-4-8-28-21(12)33)31-22(34)17-10-13-14(25)6-7-15(26)19(13)29-17;1-24(2,3)11-19(23(34)29-14(12-27)9-13-5-4-8-28-21(13)32)31-22(33)18-10-15-16(25)6-7-17(26)20(15)30-18;1-11(10-17(2,3)4)14(20)19-13(16(22)23-5)9-12-7-6-8-18-15(12)21;1-16(2,3)9-11(17)14(21)19-12(15(22)23-4)8-10-6-5-7-18-13(10)20;10-5-1-2-6(11)8-4(5)3-7(12-8)9(13)14;/h7-8,11,13,18-19,29H,5-6,9-10,12H2,1-4H3,(H,28,32)(H,30,34)(H,31,33);6-7,10,12,16,18,29H,4-5,8-9,11H2,1-3H3,(H2,27,32)(H,28,33)(H,30,35)(H,31,34);6-7,10,13-14,19,30H,4-5,8-9,11H2,1-3H3,(H,28,32)(H,29,34)(H,31,33);11-13H,6-10H2,1-5H3,(H,18,21)(H,19,20);10-12H,5-9,17H2,1-4H3,(H,18,20)(H,19,21);1-3,12H,(H,13,14);1H/t13-,18-,19-;12-,16-,18-;13-,14-,19-;11-,12-,13-;10-,11-,12-;;/m00000../s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride?

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride has a molecular weight of 2490.72 g/mol, XLogP of 15.96, 36 rotatable bonds, 20 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4,7-dichloro-1H-indole-2-carboxamide;4,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;4,7-dichloro-1H-indole-2-carboxylic acid;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2-[(4,7-dichloro-1H-indole-2-carbonyl)amino]-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-3-[(3S)-2-oxopiperidin-3-yl]-2-[[(2S)-2,4,4-trimethylpentanoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 163767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).