27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate

C52H87FN14O6 — CID 178094532

About 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate

27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate (PubChem CID 178094532) has the molecular formula C52H87FN14O6 and a molecular weight of 1023.36 g/mol. Its IUPAC name is 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate.

Molecular Properties

• Compound Name: 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate
• PubChem CID: 178094532
• Molecular Formula: C52H87FN14O6
• Molecular Weight: 1023.36 g/mol
• Exact Mass: 1022.69
• IUPAC Name: 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNNNNNN)CC3
• InChI: InChI=1S/C52H87FN14O6/c1-3-52(71)41-33-45-48-39(35-67(45)49(68)40(41)36-73-50(52)69)47-43(30-29-38-37(2)42(53)34-44(56-48)46(38)47)57-51(70)72-32-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-31-55-59-61-63-65-66-64-62-60-58-54/h33-34,43,55,58-66,71H,3-32,35-36,54H2,1-2H3,(H,57,70)/t43-,52-/m0/s1
• InChIKey: UUGNSLKXQDXUHV-FJAUTCNGSA-N
• XLogP: 7.00
• TPSA: 266.07 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1023.36
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate?

The IUPAC name of 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate (CID 178094532) is 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate.

What is the SMILES notation for 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate?

The canonical SMILES for 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNNNNNN)CC3.

What is the InChIKey of 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate?

The InChIKey is UUGNSLKXQDXUHV-FJAUTCNGSA-N. The full InChI is InChI=1S/C52H87FN14O6/c1-3-52(71)41-33-45-48-39(35-67(45)49(68)40(41)36-73-50(52)69)47-43(30-29-38-37(2)42(53)34-44(56-48)46(38)47)57-51(70)72-32-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-31-55-59-61-63-65-66-64-62-60-58-54/h33-34,43,55,58-66,71H,3-32,35-36,54H2,1-2H3,(H,57,70)/t43-,52-/m0/s1.

What are the key properties of 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate?

27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate has a molecular weight of 1023.36 g/mol, XLogP of 7.00, 39 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 27-[2-[2-[2-[2-(2-aminohydrazinyl)hydrazinyl]hydrazinyl]hydrazinyl]hydrazinyl]heptacosyl N-[(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]carbamate is sourced from PubChem (CID 178094532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).