8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide

C58H58N8O9 — CID 155175514

IUPAC8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide
SMILESC=Cc1c(C2=C(c3c[nH]c4ccccc34)C(=O)N(C(=O)CCCCCCC(=O)NO)C2=O)c[nH]c1/C=C\Cc1ccc2c(C3=C(c4c(C)[nH]c5ccccc45)C(=O)N(CCCCCCC(=O)NO)C3=O)c(C)[nH]c2c1
InChIInChI=1S/C58H58N8O9/c1-4-36-40(51-52(41-32-60-43-21-14-12-19-37(41)43)58(73)66(57(51)72)48(69)26-11-6-5-9-24-46(67)63-74)31-59-42(36)23-17-18-35-27-28-39-45(30-35)62-34(3)50(39)54-53(49-33(2)61-44-22-15-13-20-38(44)49)55(70)65(56(54)71)29-16-8-7-10-25-47(68)64-75/h4,12-15,17,19-23,27-28,30-32,59-62,74-75H,1,5-11,16,18,24-26,29H2,2-3H3,(H,63,67)(H,64,68)/b23-17-
InChIKeyBLRRIQFSDUQHSW-QJOMJCCJSA-N
MW1011.15 g/mol
LogP9.36
Rot. Bonds22

About 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide

8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide (PubChem CID 155175514) has the molecular formula C58H58N8O9 and a molecular weight of 1011.15 g/mol. Its IUPAC name is 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide
PubChem CID155175514
Molecular FormulaC58H58N8O9
Molecular Weight1011.15 g/mol
Exact Mass1010.43
IUPAC Name8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide
SMILESC=Cc1c(C2=C(c3c[nH]c4ccccc34)C(=O)N(C(=O)CCCCCCC(=O)NO)C2=O)c[nH]c1/C=C\Cc1ccc2c(C3=C(c4c(C)[nH]c5ccccc45)C(=O)N(CCCCCCC(=O)NO)C3=O)c(C)[nH]c2c1
InChIInChI=1S/C58H58N8O9/c1-4-36-40(51-52(41-32-60-43-21-14-12-19-37(41)43)58(73)66(57(51)72)48(69)26-11-6-5-9-24-46(67)63-74)31-59-42(36)23-17-18-35-27-28-39-45(30-35)62-34(3)50(39)54-53(49-33(2)61-44-22-15-13-20-38(44)49)55(70)65(56(54)71)29-16-8-7-10-25-47(68)64-75/h4,12-15,17,19-23,27-28,30-32,59-62,74-75H,1,5-11,16,18,24-26,29H2,2-3H3,(H,63,67)(H,64,68)/b23-17-
InChIKeyBLRRIQFSDUQHSW-QJOMJCCJSA-N
XLogP9.36
TPSA253.65 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.15
LogP ≤ 59.36
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'}

Analyze 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide (CID 155175514) is 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide is C=Cc1c(C2=C(c3c[nH]c4ccccc34)C(=O)N(C(=O)CCCCCCC(=O)NO)C2=O)c[nH]c1/C=C\Cc1ccc2c(C3=C(c4c(C)[nH]c5ccccc45)C(=O)N(CCCCCCC(=O)NO)C3=O)c(C)[nH]c2c1.
What is the InChIKey of 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide?
The InChIKey is BLRRIQFSDUQHSW-QJOMJCCJSA-N. The full InChI is InChI=1S/C58H58N8O9/c1-4-36-40(51-52(41-32-60-43-21-14-12-19-37(41)43)58(73)66(57(51)72)48(69)26-11-6-5-9-24-46(67)63-74)31-59-42(36)23-17-18-35-27-28-39-45(30-35)62-34(3)50(39)54-53(49-33(2)61-44-22-15-13-20-38(44)49)55(70)65(56(54)71)29-16-8-7-10-25-47(68)64-75/h4,12-15,17,19-23,27-28,30-32,59-62,74-75H,1,5-11,16,18,24-26,29H2,2-3H3,(H,63,67)(H,64,68)/b23-17-.
What are the key properties of 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide?
8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide has a molecular weight of 1011.15 g/mol, XLogP of 9.36, 22 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-ethenyl-5-[(Z)-3-[3-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-(2-methyl-1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-2-methyl-1H-indol-6-yl]prop-1-enyl]-1H-pyrrol-3-yl]-4-(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 155175514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).