(10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione

C23H18FN3O6 — CID 176814637

IUPAC(10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(O)c3c1c2/C(=N\O)CC3
InChIInChI=1S/C23H18FN3O6/c1-2-23(31)12-5-16-19-10(7-27(16)21(29)11(12)8-33-22(23)30)18-14(26-32)4-3-9-17(18)15(25-19)6-13(24)20(9)28/h5-6,28,31-32H,2-4,7-8H2,1H3/b26-14-/t23-/m0/s1
InChIKeyGIOXLKLATZSKQY-KLNAUVTNSA-N
MW451.41 g/mol
LogP2.05
Rot. Bonds1

About (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione

(10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione (PubChem CID 176814637) has the molecular formula C23H18FN3O6 and a molecular weight of 451.41 g/mol. Its IUPAC name is (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione.

Molecular Properties

Compound Name(10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione
PubChem CID176814637
Molecular FormulaC23H18FN3O6
Molecular Weight451.41 g/mol
Exact Mass451.12
IUPAC Name(10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(O)c3c1c2/C(=N\O)CC3
InChIInChI=1S/C23H18FN3O6/c1-2-23(31)12-5-16-19-10(7-27(16)21(29)11(12)8-33-22(23)30)18-14(26-32)4-3-9-17(18)15(25-19)6-13(24)20(9)28/h5-6,28,31-32H,2-4,7-8H2,1H3/b26-14-/t23-/m0/s1
InChIKeyGIOXLKLATZSKQY-KLNAUVTNSA-N
XLogP2.05
TPSA134.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione with MolForge

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Related Compounds

(10S)-10-ethyl-18-fluoro-10,19-dihydroxy-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)-heptaene-5,9,23-trione
CID 176814641
(10S)-10-ethyl-18-fluoro-10,19-dihydroxy-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione
CID 176814549
(10S)-10-ethyl-18-fluoro-10,19,23-trihydroxy-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)-heptaene-5,9-dione
CID 176814566
(10S,23E)-23-(2-aminoethylidene)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione
CID 170741545
ethyl (2E)-2-[(10S)-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-ylidene]acetate
CID 170741462
(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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),21-octaene-5,9,23-trione
CID 170741578
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-sulfanyl-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)-heptaene-5,9-dione
CID 174149217
(19S)-10-(aminomethyl)-19-ethyl-6-fluoro-19-hydroxy-7,8-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 170219020
(19S)-10-(aminomethyl)-19-ethyl-6,8-difluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 170218975
(10S)-23-amino-10-ethyl-18,19-difluoro-10-hydroxy-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)-heptaene-5,9-dione
CID 22873366
(10S,23S)-23-amino-10-ethyl-18,19-difluoro-10-hydroxy-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)-heptaene-5,9-dione
CID 167224062
CID 174260907
CID 174260907

Frequently Asked Questions

What is the IUPAC name of (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione?
The IUPAC name of (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione (CID 176814637) is (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione.
What is the SMILES notation for (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione?
The canonical SMILES for (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(O)c3c1c2/C(=N\O)CC3.
What is the InChIKey of (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione?
The InChIKey is GIOXLKLATZSKQY-KLNAUVTNSA-N. The full InChI is InChI=1S/C23H18FN3O6/c1-2-23(31)12-5-16-19-10(7-27(16)21(29)11(12)8-33-22(23)30)18-14(26-32)4-3-9-17(18)15(25-19)6-13(24)20(9)28/h5-6,28,31-32H,2-4,7-8H2,1H3/b26-14-/t23-/m0/s1.
What are the key properties of (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione?
(10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione has a molecular weight of 451.41 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,23Z)-10-ethyl-18-fluoro-10,19-dihydroxy-23-hydroxyimino-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)-heptaene-5,9-dione is sourced from PubChem (CID 176814637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).