[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid

C40H34FN3O6 — CID 170428715

About [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid

[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid (PubChem CID 170428715) has the molecular formula C40H34FN3O6 and a molecular weight of 671.73 g/mol. Its IUPAC name is [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid.

Molecular Properties

• Compound Name: [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
• PubChem CID: 170428715
• Molecular Formula: C40H34FN3O6
• Molecular Weight: 671.73 g/mol
• Exact Mass: 671.24
• IUPAC Name: [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(C)(N(CC1c2ccccc2-c2ccccc21)C(=O)O)CC3
• InChI: InChI=1S/C40H34FN3O6/c1-4-40(49)29-15-32-35-27(17-43(32)36(45)28(29)19-50-37(40)46)34-33-21(20(2)30(41)16-31(33)42-35)13-14-39(34,3)44(38(47)48)18-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-12,15-16,26,49H,4,13-14,17-19H2,1-3H3,(H,47,48)/t39?,40-/m0/s1
• InChIKey: PYZXGQFOPXMUHT-YFCYKHDGSA-N
• XLogP: 6.48
• TPSA: 121.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.73
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?

The IUPAC name of [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid (CID 170428715) is [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid.

What is the SMILES notation for [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?

The canonical SMILES for [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(C)(N(CC1c2ccccc2-c2ccccc21)C(=O)O)CC3.

What is the InChIKey of [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?

The InChIKey is PYZXGQFOPXMUHT-YFCYKHDGSA-N. The full InChI is InChI=1S/C40H34FN3O6/c1-4-40(49)29-15-32-35-27(17-43(32)36(45)28(29)19-50-37(40)46)34-33-21(20(2)30(41)16-31(33)42-35)13-14-39(34,3)44(38(47)48)18-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-12,15-16,26,49H,4,13-14,17-19H2,1-3H3,(H,47,48)/t39?,40-/m0/s1.

What are the key properties of [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid?

[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid has a molecular weight of 671.73 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-(9H-fluoren-9-ylmethyl)carbamic acid is sourced from PubChem (CID 170428715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).