9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride

C49H64ClN7O9 — CID 153399481

About 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride (PubChem CID 153399481) has the molecular formula C49H64ClN7O9 and a molecular weight of 930.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride
• PubChem CID: 153399481
• Molecular Formula: C49H64ClN7O9
• Molecular Weight: 930.54 g/mol
• Exact Mass: 929.45
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2c(C(=O)NCCOCCOCCNC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(OC)cc3n2C)CC1)C1CCCCC1.Cl
• InChI: InChI=1S/C49H63N7O9.ClH/c1-32(50-2)45(57)53-43(33-12-6-5-7-13-33)47(59)55-22-24-56(25-23-55)48(60)44-42(39-19-18-34(62-4)30-41(39)54(44)3)46(58)51-20-26-63-28-29-64-27-21-52-49(61)65-31-40-37-16-10-8-14-35(37)36-15-9-11-17-38(36)40;/h8-11,14-19,30,32-33,40,43,50H,5-7,12-13,20-29,31H2,1-4H3,(H,51,58)(H,52,61)(H,53,57);1H/t32-,43-;/m0./s1
• InChIKey: AHXLJMXUZFSROK-KMXIDLQRSA-N
• XLogP: 4.87
• TPSA: 181.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.54
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride (CID 153399481) is 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2c(C(=O)NCCOCCOCCNC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(OC)cc3n2C)CC1)C1CCCCC1.Cl.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride?

The InChIKey is AHXLJMXUZFSROK-KMXIDLQRSA-N. The full InChI is InChI=1S/C49H63N7O9.ClH/c1-32(50-2)45(57)53-43(33-12-6-5-7-13-33)47(59)55-22-24-56(25-23-55)48(60)44-42(39-19-18-34(62-4)30-41(39)54(44)3)46(58)51-20-26-63-28-29-64-27-21-52-49(61)65-31-40-37-16-10-8-14-35(37)36-15-9-11-17-38(36)40;/h8-11,14-19,30,32-33,40,43,50H,5-7,12-13,20-29,31H2,1-4H3,(H,51,58)(H,52,61)(H,53,57);1H/t32-,43-;/m0./s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride?

9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride has a molecular weight of 930.54 g/mol, XLogP of 4.87, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperazine-1-carbonyl]-6-methoxy-1-methylindole-3-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate;hydrochloride is sourced from PubChem (CID 153399481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).