9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine

C62H74FN9O10 — CID 177039050

About 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine

9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine (PubChem CID 177039050) has the molecular formula C62H74FN9O10 and a molecular weight of 1124.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine
• PubChem CID: 177039050
• Molecular Formula: C62H74FN9O10
• Molecular Weight: 1124.32 g/mol
• Exact Mass: 1123.55
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine
• SMILES: CC(C)C(C)N.CCCNC.CC[C@H]1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)OCc1ccc(NC(=O)CNC=O)cc1CN(C)C(=O)OCC1c2ccccc2-c2ccccc21)CC3.NC=O
• InChI: InChI=1S/C52H47FN6O9.C5H13N.C4H11N.CH3NO/c1-4-31-37-18-44-48-38(22-59(44)49(62)40(37)25-66-50(31)63)47-42(16-15-32-27(2)41(53)19-43(56-48)46(32)47)57-51(64)67-23-28-13-14-30(55-45(61)20-54-26-60)17-29(28)21-58(3)52(65)68-24-39-35-11-7-5-9-33(35)34-10-6-8-12-36(34)39;1-4(2)5(3)6;1-3-4-5-2;2-1-3/h5-14,17-19,26,31,39,42H,4,15-16,20-25H2,1-3H3,(H,54,60)(H,55,61)(H,57,64);4-5H,6H2,1-3H3;5H,3-4H2,1-2H3;1H,(H2,2,3)/t31-,42+;;;/m1.../s1
• InChIKey: ANOMIAPEHZFUAS-VAQWPETPSA-N
• XLogP: 8.11
• TPSA: 268.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1124.32
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine (CID 177039050) is 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine is CC(C)C(C)N.CCCNC.CC[C@H]1C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)OCc1ccc(NC(=O)CNC=O)cc1CN(C)C(=O)OCC1c2ccccc2-c2ccccc21)CC3.NC=O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine?

The InChIKey is ANOMIAPEHZFUAS-VAQWPETPSA-N. The full InChI is InChI=1S/C52H47FN6O9.C5H13N.C4H11N.CH3NO/c1-4-31-37-18-44-48-38(22-59(44)49(62)40(37)25-66-50(31)63)47-42(16-15-32-27(2)41(53)19-43(56-48)46(32)47)57-51(64)67-23-28-13-14-30(55-45(61)20-54-26-60)17-29(28)21-58(3)52(65)68-24-39-35-11-7-5-9-33(35)34-10-6-8-12-36(34)39;1-4(2)5(3)6;1-3-4-5-2;2-1-3/h5-14,17-19,26,31,39,42H,4,15-16,20-25H2,1-3H3,(H,54,60)(H,55,61)(H,57,64);4-5H,6H2,1-3H3;5H,3-4H2,1-2H3;1H,(H2,2,3)/t31-,42+;;;/m1.../s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine?

9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine has a molecular weight of 1124.32 g/mol, XLogP of 8.11, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[[2-[[(10R,23S)-10-ethyl-18-fluoro-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]carbamoyloxymethyl]-5-[(2-formamidoacetyl)amino]phenyl]methyl]-N-methylcarbamate;formamide;3-methylbutan-2-amine;N-methylpropan-1-amine is sourced from PubChem (CID 177039050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).