9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate

C43H42FN5O6 — CID 177087429

About 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate (PubChem CID 177087429) has the molecular formula C43H42FN5O6 and a molecular weight of 743.84 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate
• PubChem CID: 177087429
• Molecular Formula: C43H42FN5O6
• Molecular Weight: 743.84 g/mol
• Exact Mass: 743.31
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NCCNCCNC(=O)OCC1c2ccccc2-c2ccccc21)CC3
• InChI: InChI=1S/C43H42FN5O6/c1-3-43(53)32-18-36-39-29(20-49(36)40(50)31(32)22-54-41(43)51)38-34(13-12-24-23(2)33(44)19-35(48-39)37(24)38)46-16-14-45-15-17-47-42(52)55-21-30-27-10-6-4-8-25(27)26-9-5-7-11-28(26)30/h4-11,18-19,30,34,45-46,53H,3,12-17,20-22H2,1-2H3,(H,47,52)/t34-,43-/m0/s1
• InChIKey: QUNFQTJGMLNGGC-CSPRLXHTSA-N
• XLogP: 5.23
• TPSA: 143.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.84
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate (CID 177087429) is 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NCCNCCNC(=O)OCC1c2ccccc2-c2ccccc21)CC3.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate?

The InChIKey is QUNFQTJGMLNGGC-CSPRLXHTSA-N. The full InChI is InChI=1S/C43H42FN5O6/c1-3-43(53)32-18-36-39-29(20-49(36)40(50)31(32)22-54-41(43)51)38-34(13-12-24-23(2)33(44)19-35(48-39)37(24)38)46-16-14-45-15-17-47-42(52)55-21-30-27-10-6-4-8-25(27)26-9-5-7-11-28(26)30/h4-11,18-19,30,34,45-46,53H,3,12-17,20-22H2,1-2H3,(H,47,52)/t34-,43-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate has a molecular weight of 743.84 g/mol, XLogP of 5.23, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]ethylamino]ethyl]carbamate is sourced from PubChem (CID 177087429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).