N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide

C46H50N8O9 — CID 158226273

About N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 158226273) has the molecular formula C46H50N8O9 and a molecular weight of 858.95 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 158226273
• Molecular Formula: C46H50N8O9
• Molecular Weight: 858.95 g/mol
• Exact Mass: 858.37
• IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: C#CC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCC1=O)C(N)=O.C#CC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCC1=O
• InChI: InChI=1S/C23H26N4O5.C23H24N4O4/c1-3-6-16(22(30)27-17(21(24)29)11-13-7-4-9-19(13)28)26-23(31)18-12-14-15(25-18)8-5-10-20(14)32-2;1-3-6-18(22(29)25-15(13-24)11-14-7-4-9-20(14)28)27-23(30)19-12-16-17(26-19)8-5-10-21(16)31-2/h1,5,8,10,12-13,16-17,25H,4,6-7,9,11H2,2H3,(H2,24,29)(H,26,31)(H,27,30);1,5,8,10,12,14-15,18,26H,4,6-7,9,11H2,2H3,(H,25,29)(H,27,30)/t13-,16-,17-;14-,15-,18-/m00/s1
• InChIKey: GDVKLPGJJQERTB-IOEOOOATSA-N
• XLogP: 3.09
• TPSA: 267.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.95
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 158226273) is N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide is C#CC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCC1=O)C(N)=O.C#CC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCCC1=O.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is GDVKLPGJJQERTB-IOEOOOATSA-N. The full InChI is InChI=1S/C23H26N4O5.C23H24N4O4/c1-3-6-16(22(30)27-17(21(24)29)11-13-7-4-9-19(13)28)26-23(31)18-12-14-15(25-18)8-5-10-20(14)32-2;1-3-6-18(22(29)25-15(13-24)11-14-7-4-9-20(14)28)27-23(30)19-12-16-17(26-19)8-5-10-21(16)31-2/h1,5,8,10,12-13,16-17,25H,4,6-7,9,11H2,2H3,(H2,24,29)(H,26,31)(H,27,30);1,5,8,10,12,14-15,18,26H,4,6-7,9,11H2,2H3,(H,25,29)(H,27,30)/t13-,16-,17-;14-,15-,18-/m00/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide?

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 858.95 g/mol, XLogP of 3.09, 17 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 158226273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).