9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate

C34H41N3O7 — CID 23307483

About 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate (PubChem CID 23307483) has the molecular formula C34H41N3O7 and a molecular weight of 603.72 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate
• PubChem CID: 23307483
• Molecular Formula: C34H41N3O7
• Molecular Weight: 603.72 g/mol
• Exact Mass: 603.29
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate
• SMILES: C[C@@H](CO)NC(=O)C[C@H]1CC=CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O
• InChI: InChI=1S/C34H41N3O7/c1-22(19-38)35-31(39)18-23-10-3-2-4-16-30(33(41)43-20-24-11-9-17-37(24)32(23)40)36-34(42)44-21-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-3,5-8,12-15,22-24,29-30,38H,4,9-11,16-21H2,1H3,(H,35,39)(H,36,42)/t22-,23+,24-,30+/m0/s1
• InChIKey: RCOZRKSKHGQAEB-WUBQMYJQSA-N
• XLogP: 3.67
• TPSA: 134.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.72
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate (CID 23307483) is 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate is C[C@@H](CO)NC(=O)C[C@H]1CC=CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate?

The InChIKey is RCOZRKSKHGQAEB-WUBQMYJQSA-N. The full InChI is InChI=1S/C34H41N3O7/c1-22(19-38)35-31(39)18-23-10-3-2-4-16-30(33(41)43-20-24-11-9-17-37(24)32(23)40)36-34(42)44-21-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-3,5-8,12-15,22-24,29-30,38H,4,9-11,16-21H2,1H3,(H,35,39)(H,36,42)/t22-,23+,24-,30+/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate has a molecular weight of 603.72 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(3R,9R,13S)-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-2,10-dioxo-11-oxa-1-azabicyclo[11.3.0]hexadec-5-en-9-yl]carbamate is sourced from PubChem (CID 23307483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).