9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate

C53H56FN5O10 — CID 160905756

About 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate

9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate (PubChem CID 160905756) has the molecular formula C53H56FN5O10 and a molecular weight of 942.05 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate
• PubChem CID: 160905756
• Molecular Formula: C53H56FN5O10
• Molecular Weight: 942.05 g/mol
• Exact Mass: 941.40
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)CCCCC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)CC3
• InChI: InChI=1S/C53H56FN5O10/c1-6-53(66)38-21-43-47-35(24-59(43)49(63)37(38)26-67-50(53)64)46-40(20-19-30-28(2)39(54)22-41(57-47)45(30)46)58-48(62)42(27-69-52(3,4)5)56-44(61)18-12-7-13-29(60)23-55-51(65)68-25-36-33-16-10-8-14-31(33)32-15-9-11-17-34(32)36/h8-11,14-17,21-22,36,40,42,66H,6-7,12-13,18-20,23-27H2,1-5H3,(H,55,65)(H,56,61)(H,58,62)/t40-,42-,53-/m0/s1
• InChIKey: YZQRKMLQVGKNIO-OBUWZHAXSA-N
• XLogP: 6.60
• TPSA: 204.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	942.05
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate (CID 160905756) is 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)CCCCC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)CC3.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate?

The InChIKey is YZQRKMLQVGKNIO-OBUWZHAXSA-N. The full InChI is InChI=1S/C53H56FN5O10/c1-6-53(66)38-21-43-47-35(24-59(43)49(63)37(38)26-67-50(53)64)46-40(20-19-30-28(2)39(54)22-41(57-47)45(30)46)58-48(62)42(27-69-52(3,4)5)56-44(61)18-12-7-13-29(60)23-55-51(65)68-25-36-33-16-10-8-14-31(33)32-15-9-11-17-34(32)36/h8-11,14-17,21-22,36,40,42,66H,6-7,12-13,18-20,23-27H2,1-5H3,(H,55,65)(H,56,61)(H,58,62)/t40-,42-,53-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate?

9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate has a molecular weight of 942.05 g/mol, XLogP of 6.60, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[7-[[(2S)-1-[[(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]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-2,7-dioxoheptyl]carbamate is sourced from PubChem (CID 160905756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).