9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate

C61H63FN8O12 — CID 126512309

About 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 126512309) has the molecular formula C61H63FN8O12 and a molecular weight of 1119.22 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
• PubChem CID: 126512309
• Molecular Formula: C61H63FN8O12
• Molecular Weight: 1119.22 g/mol
• Exact Mass: 1118.45
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N(C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](COC(C)(C)C)C(N)=O)CC3
• InChI: InChI=1S/C61H63FN8O12/c1-6-61(79)42-23-47-54-39(28-69(47)57(76)41(42)30-80-58(61)77)53-46(21-20-34-32(2)43(62)24-44(68-54)52(34)53)70(48(55(63)74)31-82-60(3,4)5)51(73)27-65-56(75)45(22-33-14-8-7-9-15-33)67-50(72)26-64-49(71)25-66-59(78)81-29-40-37-18-12-10-16-35(37)36-17-11-13-19-38(36)40/h7-19,23-24,40,45-46,48,79H,6,20-22,25-31H2,1-5H3,(H2,63,74)(H,64,71)(H,65,75)(H,66,78)(H,67,72)/t45-,46-,48-,61-/m0/s1
• InChIKey: FCEZWNFWLMUKAD-CXMDDNNPSA-N
• XLogP: 4.51
• TPSA: 279.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.22
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 126512309) is 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N(C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](COC(C)(C)C)C(N)=O)CC3.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The InChIKey is FCEZWNFWLMUKAD-CXMDDNNPSA-N. The full InChI is InChI=1S/C61H63FN8O12/c1-6-61(79)42-23-47-54-39(28-69(47)57(76)41(42)30-80-58(61)77)53-46(21-20-34-32(2)43(62)24-44(68-54)52(34)53)70(48(55(63)74)31-82-60(3,4)5)51(73)27-65-56(75)45(22-33-14-8-7-9-15-33)67-50(72)26-64-49(71)25-66-59(78)81-29-40-37-18-12-10-16-35(37)36-17-11-13-19-38(36)40/h7-19,23-24,40,45-46,48,79H,6,20-22,25-31H2,1-5H3,(H2,63,74)(H,64,71)(H,65,75)(H,66,78)(H,67,72)/t45-,46-,48-,61-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 1119.22 g/mol, XLogP of 4.51, 18 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-[[2-[[(2S)-1-[[2-[[(2S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-[(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]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 126512309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).