(19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C30H35N3O8Si — CID 70150563

About (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

(19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 70150563) has the molecular formula C30H35N3O8Si and a molecular weight of 593.71 g/mol. Its IUPAC name is (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

• Compound Name: (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• PubChem CID: 70150563
• Molecular Formula: C30H35N3O8Si
• Molecular Weight: 593.71 g/mol
• Exact Mass: 593.22
• IUPAC Name: (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• SMILES: CCC1(OC(=O)CNC(=O)OC(C)(C)C)C(=O)OC([Si](C)(C)C)c2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1
• InChI: InChI=1S/C30H35N3O8Si/c1-8-30(40-22(35)14-31-28(38)41-29(2,3)4)19-13-21-24-17(11-16-12-18(34)9-10-20(16)32-24)15-33(21)25(36)23(19)26(39-27(30)37)42(5,6)7/h9-13,26,34H,8,14-15H2,1-7H3,(H,31,38)
• InChIKey: QPXVSUVLFONRAY-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 146.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.71
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The IUPAC name of (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 70150563) is (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

What is the SMILES notation for (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The canonical SMILES for (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CCC1(OC(=O)CNC(=O)OC(C)(C)C)C(=O)OC([Si](C)(C)C)c2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1.

What is the InChIKey of (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The InChIKey is QPXVSUVLFONRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O8Si/c1-8-30(40-22(35)14-31-28(38)41-29(2,3)4)19-13-21-24-17(11-16-12-18(34)9-10-20(16)32-24)15-33(21)25(36)23(19)26(39-27(30)37)42(5,6)7/h9-13,26,34H,8,14-15H2,1-7H3,(H,31,38).

What are the key properties of (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

(19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 593.71 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (19-ethyl-7-hydroxy-14,18-dioxo-16-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 70150563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).