[(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate

C26H25FN4O7 — CID 170069135

About [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate

[(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate (PubChem CID 170069135) has the molecular formula C26H25FN4O7 and a molecular weight of 524.51 g/mol. Its IUPAC name is [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate
• PubChem CID: 170069135
• Molecular Formula: C26H25FN4O7
• Molecular Weight: 524.51 g/mol
• Exact Mass: 524.17
• IUPAC Name: [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate
• SMILES: CC[C@@]1(OC(=O)NC(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)NC)c(F)cc3nc2-1
• InChI: InChI=1S/C26H25FN4O7/c1-5-26(38-25(35)29-12(2)3)16-8-19-21-14(10-31(19)22(32)15(16)11-36-23(26)33)6-13-7-20(37-24(34)28-4)17(27)9-18(13)30-21/h6-9,12H,5,10-11H2,1-4H3,(H,28,34)(H,29,35)/t26-/m0/s1
• InChIKey: DLGAJWVIBVHYBQ-SANMLTNESA-N
• XLogP: 3.08
• TPSA: 137.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.51
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate?

The IUPAC name of [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate (CID 170069135) is [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate.

What is the SMILES notation for [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate?

The canonical SMILES for [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate is CC[C@@]1(OC(=O)NC(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)NC)c(F)cc3nc2-1.

What is the InChIKey of [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate?

The InChIKey is DLGAJWVIBVHYBQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H25FN4O7/c1-5-26(38-25(35)29-12(2)3)16-8-19-21-14(10-31(19)22(32)15(16)11-36-23(26)33)6-13-7-20(37-24(34)28-4)17(27)9-18(13)30-21/h6-9,12H,5,10-11H2,1-4H3,(H,28,34)(H,29,35)/t26-/m0/s1.

What are the key properties of [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate?

[(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate has a molecular weight of 524.51 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(19S)-19-ethyl-6-fluoro-14,18-dioxo-19-(propan-2-ylcarbamoyloxy)-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-7-yl] N-methylcarbamate is sourced from PubChem (CID 170069135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).