(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate

C128H176Cl4N12O24 — CID 163905777

About (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate

(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate (PubChem CID 163905777) has the molecular formula C128H176Cl4N12O24 and a molecular weight of 2408.69 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate
• PubChem CID: 163905777
• Molecular Formula: C128H176Cl4N12O24
• Molecular Weight: 2408.69 g/mol
• Exact Mass: 2405.17
• IUPAC Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate
• SMILES: CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(N)=O.CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC(C)(C)C.O=C(O)c1cc2ccc(Cl)cc2[nH]1
• InChI: InChI=1S/C27H35ClN2O5.C26H34ClN3O4.C26H32ClN3O3.C23H39NO6.C17H30N2O4.C9H6ClNO2/c1-27(2,3)15-18(13-24(32)21-11-16-9-10-19(28)14-20(16)29-21)25(33)30-22(26(34)35-4)12-17-7-5-6-8-23(17)31;1-26(2,3)14-17(12-23(32)20-10-15-8-9-18(27)13-19(15)29-20)25(34)30-21(24(28)33)11-16-6-4-5-7-22(16)31;1-26(2,3)14-18(12-24(32)22-11-16-8-9-19(27)13-21(16)30-22)25(33)29-20(15-28)10-17-6-4-5-7-23(17)31;1-22(2,3)14-16(13-19(26)30-23(4,5)6)20(27)24-17(21(28)29-7)12-15-10-8-9-11-18(15)25;1-17(2,3)10-12(18)15(21)19-13(16(22)23-4)9-11-7-5-6-8-14(11)20;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h9-11,14,17-18,22,29H,5-8,12-13,15H2,1-4H3,(H,30,33);8-10,13,16-17,21,29H,4-7,11-12,14H2,1-3H3,(H2,28,33)(H,30,34);8-9,11,13,17-18,20,30H,4-7,10,12,14H2,1-3H3,(H,29,33);15-17H,8-14H2,1-7H3,(H,24,27);11-13H,5-10,18H2,1-4H3,(H,19,21);1-4,11H,(H,12,13)/t17-,18-,22-;16-,17-,21-;17-,18-,20-;15-,16-,17-;11-,12-,13-;/m00000./s1
• InChIKey: QNTVTNYWXAIKFU-LPLCCRLESA-N
• XLogP: 23.08
• TPSA: 580.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2408.69
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate?

The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate (CID 163905777) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate.

What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate?

The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate is CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(N)=O.CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)OC(C)(C)C)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)CC(C)(C)C.COC(=O)[C@H](C[C@@H]1CCCCC1=O)NC(=O)[C@@H](N)CC(C)(C)C.O=C(O)c1cc2ccc(Cl)cc2[nH]1.

What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate?

The InChIKey is QNTVTNYWXAIKFU-LPLCCRLESA-N. The full InChI is InChI=1S/C27H35ClN2O5.C26H34ClN3O4.C26H32ClN3O3.C23H39NO6.C17H30N2O4.C9H6ClNO2/c1-27(2,3)15-18(13-24(32)21-11-16-9-10-19(28)14-20(16)29-21)25(33)30-22(26(34)35-4)12-17-7-5-6-8-23(17)31;1-26(2,3)14-17(12-23(32)20-10-15-8-9-18(27)13-19(15)29-20)25(34)30-21(24(28)33)11-16-6-4-5-7-22(16)31;1-26(2,3)14-18(12-24(32)22-11-16-8-9-19(27)13-21(16)30-22)25(33)29-20(15-28)10-17-6-4-5-7-23(17)31;1-22(2,3)14-16(13-19(26)30-23(4,5)6)20(27)24-17(21(28)29-7)12-15-10-8-9-11-18(15)25;1-17(2,3)10-12(18)15(21)19-13(16(22)23-4)9-11-7-5-6-8-14(11)20;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h9-11,14,17-18,22,29H,5-8,12-13,15H2,1-4H3,(H,30,33);8-10,13,16-17,21,29H,4-7,11-12,14H2,1-3H3,(H2,28,33)(H,30,34);8-9,11,13,17-18,20,30H,4-7,10,12,14H2,1-3H3,(H,29,33);15-17H,8-14H2,1-7H3,(H,24,27);11-13H,5-10,18H2,1-4H3,(H,19,21);1-4,11H,(H,12,13)/t17-,18-,22-;16-,17-,21-;17-,18-,20-;15-,16-,17-;11-,12-,13-;/m00000./s1.

What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate?

(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate has a molecular weight of 2408.69 g/mol, XLogP of 23.08, 41 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide;tert-butyl (3R)-3-[[(2S)-1-methoxy-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]-5,5-dimethylhexanoate;6-chloro-1H-indole-2-carboxylic acid;(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-4,4-dimethylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanoyl]amino]-3-[(1S)-2-oxocyclohexyl]propanoate is sourced from PubChem (CID 163905777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).