cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

C41H50N8O8S — CID 24949626

About cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate (PubChem CID 24949626) has the molecular formula C41H50N8O8S and a molecular weight of 814.97 g/mol. Its IUPAC name is cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
• PubChem CID: 24949626
• Molecular Formula: C41H50N8O8S
• Molecular Weight: 814.97 g/mol
• Exact Mass: 814.35
• IUPAC Name: cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
• SMILES: COc1ccc(-c2nn([C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCC[C@@H](NC(=O)OC5CCCC5)C(=O)N4C3)nc2-c2ccccc2)cn1
• InChI: InChI=1S/C41H50N8O8S/c1-56-34-21-18-27(24-42-34)36-35(26-12-6-5-7-13-26)45-49(46-36)29-22-33-37(50)44-41(39(52)47-58(54,55)31-19-20-31)23-28(41)14-8-3-2-4-9-17-32(38(51)48(33)25-29)43-40(53)57-30-15-10-11-16-30/h5-8,12-14,18,21,24,28-33H,2-4,9-11,15-17,19-20,22-23,25H2,1H3,(H,43,53)(H,44,50)(H,47,52)/b14-8+/t28-,29-,32-,33+,41-/m1/s1
• InChIKey: SVOUNZVAXCMGNO-URJXZREZSA-N
• XLogP: 4.20
• TPSA: 203.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.97
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate?

The IUPAC name of cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate (CID 24949626) is cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate.

What is the SMILES notation for cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate?

The canonical SMILES for cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate is COc1ccc(-c2nn([C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCC[C@@H](NC(=O)OC5CCCC5)C(=O)N4C3)nc2-c2ccccc2)cn1.

What is the InChIKey of cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate?

The InChIKey is SVOUNZVAXCMGNO-URJXZREZSA-N. The full InChI is InChI=1S/C41H50N8O8S/c1-56-34-21-18-27(24-42-34)36-35(26-12-6-5-7-13-26)45-49(46-36)29-22-33-37(50)44-41(39(52)47-58(54,55)31-19-20-31)23-28(41)14-8-3-2-4-9-17-32(38(51)48(33)25-29)43-40(53)57-30-15-10-11-16-30/h5-8,12-14,18,21,24,28-33H,2-4,9-11,15-17,19-20,22-23,25H2,1H3,(H,43,53)(H,44,50)(H,47,52)/b14-8+/t28-,29-,32-,33+,41-/m1/s1.

What are the key properties of cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate?

cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate has a molecular weight of 814.97 g/mol, XLogP of 4.20, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[(1S,4R,6S,7E,14R,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[4-(6-methoxy-3-pyridinyl)-5-phenyltriazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate is sourced from PubChem (CID 24949626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).