9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate

C60H59FN8O12 — CID 178182298

About 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate

9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 178182298) has the molecular formula C60H59FN8O12 and a molecular weight of 1103.17 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate
• PubChem CID: 178182298
• Molecular Formula: C60H59FN8O12
• Molecular Weight: 1103.17 g/mol
• Exact Mass: 1102.42
• IUPAC Name: 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate
• SMILES: Cc1c(F)cc2nc3c(c4c2c1CC[C@@H]4NC(=O)[C@H](C)OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)OC1c2ccccc2-c2ccccc21)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC1CC1
• InChI: InChI=1S/C60H59FN8O12/c1-31-35-19-20-44(52-40-27-69-47(53(40)66-45(51(35)52)23-43(31)61)22-42-41(57(69)75)29-79-58(76)60(42,78)24-34-17-18-34)67-55(73)32(2)80-30-64-48(70)25-63-56(74)46(21-33-11-5-4-6-12-33)65-49(71)26-62-50(72)28-68(3)59(77)81-54-38-15-9-7-13-36(38)37-14-8-10-16-39(37)54/h4-16,22-23,32,34,44,46,54,78H,17-21,24-30H2,1-3H3,(H,62,72)(H,63,74)(H,64,70)(H,65,71)(H,67,73)/t32-,44-,46-,60-/m0/s1
• InChIKey: FNZNGZUZOISDPH-QIMADGPPSA-N
• XLogP: 4.30
• TPSA: 265.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.17
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate?

The IUPAC name of 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate (CID 178182298) is 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate.

What is the SMILES notation for 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate?

The canonical SMILES for 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate is Cc1c(F)cc2nc3c(c4c2c1CC[C@@H]4NC(=O)[C@H](C)OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)OC1c2ccccc2-c2ccccc21)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC1CC1.

What is the InChIKey of 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate?

The InChIKey is FNZNGZUZOISDPH-QIMADGPPSA-N. The full InChI is InChI=1S/C60H59FN8O12/c1-31-35-19-20-44(52-40-27-69-47(53(40)66-45(51(35)52)23-43(31)61)22-42-41(57(69)75)29-79-58(76)60(42,78)24-34-17-18-34)67-55(73)32(2)80-30-64-48(70)25-63-56(74)46(21-33-11-5-4-6-12-33)65-49(71)26-62-50(72)28-68(3)59(77)81-54-38-15-9-7-13-36(38)37-14-8-10-16-39(37)54/h4-16,22-23,32,34,44,46,54,78H,17-21,24-30H2,1-3H3,(H,62,72)(H,63,74)(H,64,70)(H,65,71)(H,67,73)/t32-,44-,46-,60-/m0/s1.

What are the key properties of 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate?

9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 1103.17 g/mol, XLogP of 4.30, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-yl N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-(cyclopropylmethyl)-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]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 178182298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).