(19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

C29H32N4O4SSi — CID 25261406

About (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

(19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (PubChem CID 25261406) has the molecular formula C29H32N4O4SSi and a molecular weight of 560.75 g/mol. Its IUPAC name is (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

Molecular Properties

• Compound Name: (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• PubChem CID: 25261406
• Molecular Formula: C29H32N4O4SSi
• Molecular Weight: 560.75 g/mol
• Exact Mass: 560.19
• IUPAC Name: (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)CSc1nccn1C
• InChI: InChI=1S/C29H32N4O4SSi/c1-5-29(36)22-14-24-25-20(15-33(24)26(34)21(22)16-37-27(29)35)18(19-8-6-7-9-23(19)31-25)10-13-39(3,4)17-38-28-30-11-12-32(28)2/h6-9,11-12,14,36H,5,10,13,15-17H2,1-4H3/t29-/m0/s1
• InChIKey: OCKSAKICJZCUNE-LJAQVGFWSA-N
• XLogP: 4.40
• TPSA: 99.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.75
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The IUPAC name of (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (CID 25261406) is (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

What is the SMILES notation for (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The canonical SMILES for (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)CSc1nccn1C.

What is the InChIKey of (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The InChIKey is OCKSAKICJZCUNE-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N4O4SSi/c1-5-29(36)22-14-24-25-20(15-33(24)26(34)21(22)16-37-27(29)35)18(19-8-6-7-9-23(19)31-25)10-13-39(3,4)17-38-28-30-11-12-32(28)2/h6-9,11-12,14,36H,5,10,13,15-17H2,1-4H3/t29-/m0/s1.

What are the key properties of (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

(19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione has a molecular weight of 560.75 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (19S)-10-[2-[dimethyl-[(1-methylimidazol-2-yl)sulfanylmethyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 25261406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).