N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide

C55H50N8O9 — CID 147686414

IUPACN-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccc(-c4ccc5[nH]cc(C6=C(c7c[nH]c8ccccc78)C(=O)N(CCCCCCC(=O)NO)C6=O)c5c4)cc23)C1=O)NO
InChIInChI=1S/C55H50N8O9/c64-45(60-71)17-5-1-2-7-19-47(66)63-54(69)50(38-28-57-42-16-11-9-14-34(38)42)51(55(63)70)40-30-59-44-23-21-32(26-36(40)44)31-20-22-43-35(25-31)39(29-58-43)49-48(37-27-56-41-15-10-8-13-33(37)41)52(67)62(53(49)68)24-12-4-3-6-18-46(65)61-72/h8-11,13-16,20-23,25-30,56-59,71-72H,1-7,12,17-19,24H2,(H,60,64)(H,61,65)
InChIKeyGQCQZAMSMSXMRE-UHFFFAOYSA-N
MW967.05 g/mol
LogP8.67
Rot. Bonds19

About N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide

N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide (PubChem CID 147686414) has the molecular formula C55H50N8O9 and a molecular weight of 967.05 g/mol. Its IUPAC name is N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide
PubChem CID147686414
Molecular FormulaC55H50N8O9
Molecular Weight967.05 g/mol
Exact Mass966.37
IUPAC NameN-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccc(-c4ccc5[nH]cc(C6=C(c7c[nH]c8ccccc78)C(=O)N(CCCCCCC(=O)NO)C6=O)c5c4)cc23)C1=O)NO
InChIInChI=1S/C55H50N8O9/c64-45(60-71)17-5-1-2-7-19-47(66)63-54(69)50(38-28-57-42-16-11-9-14-34(38)42)51(55(63)70)40-30-59-44-23-21-32(26-36(40)44)31-20-22-43-35(25-31)39(29-58-43)49-48(37-27-56-41-15-10-8-13-33(37)41)52(67)62(53(49)68)24-12-4-3-6-18-46(65)61-72/h8-11,13-16,20-23,25-30,56-59,71-72H,1-7,12,17-19,24H2,(H,60,64)(H,61,65)
InChIKeyGQCQZAMSMSXMRE-UHFFFAOYSA-N
XLogP8.67
TPSA253.65 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.05
LogP ≤ 58.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide (CID 147686414) is N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide is O=C(CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccc(-c4ccc5[nH]cc(C6=C(c7c[nH]c8ccccc78)C(=O)N(CCCCCCC(=O)NO)C6=O)c5c4)cc23)C1=O)NO.
What is the InChIKey of N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide?
The InChIKey is GQCQZAMSMSXMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50N8O9/c64-45(60-71)17-5-1-2-7-19-47(66)63-54(69)50(38-28-57-42-16-11-9-14-34(38)42)51(55(63)70)40-30-59-44-23-21-32(26-36(40)44)31-20-22-43-35(25-31)39(29-58-43)49-48(37-27-56-41-15-10-8-13-33(37)41)52(67)62(53(49)68)24-12-4-3-6-18-46(65)61-72/h8-11,13-16,20-23,25-30,56-59,71-72H,1-7,12,17-19,24H2,(H,60,64)(H,61,65).
What are the key properties of N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide?
N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide has a molecular weight of 967.05 g/mol, XLogP of 8.67, 19 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[3-[5-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indol-5-yl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-8-oxooctanamide is sourced from PubChem (CID 147686414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).