(10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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

C25H26N3O4P — CID 170290267

IUPAC(10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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(P)c(C)c3c1c2[C@@H](NC)CC3
InChIInChI=1S/C25H26N3O4P/c1-4-25(31)15-7-18-22-13(9-28(18)23(29)14(15)10-32-24(25)30)21-16(26-3)6-5-12-11(2)19(33)8-17(27-22)20(12)21/h7-8,16,26,31H,4-6,9-10,33H2,1-3H3/t16-,25-/m0/s1
InChIKeyTWAUAJLTZMXNEE-LMKMVOKYSA-N
MW463.47 g/mol
LogP2.10
Rot. Bonds2

About (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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 170290267) has the molecular formula C25H26N3O4P and a molecular weight of 463.47 g/mol. Its IUPAC name is (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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 CID170290267
Molecular FormulaC25H26N3O4P
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name(10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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(P)c(C)c3c1c2[C@@H](NC)CC3
InChIInChI=1S/C25H26N3O4P/c1-4-25(31)15-7-18-22-13(9-28(18)23(29)14(15)10-32-24(25)30)21-16(26-3)6-5-12-11(2)19(33)8-17(27-22)20(12)21/h7-8,16,26,31H,4-6,9-10,33H2,1-3H3/t16-,25-/m0/s1
InChIKeyTWAUAJLTZMXNEE-LMKMVOKYSA-N
XLogP2.10
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;10-ethyl-23-(ethylamino)-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 178033937
N-[(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-yl]acetamide
CID 12067229
(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(propan-2-ylamino)-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 139294937
ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-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;methanol;vanadium
CID 178046997
N-[(10S)-18-chloro-10-ethyl-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]-1-hydroxycyclopropane-1-carboxamide
CID 171574500
N-[(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-yl]-2,2-dihydroxyacetamide
CID 163483841
(10S,23S)-18-fluoro-10-hydroxy-10,19-dimethyl-23-(methylamino)-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 144604537
3-amino-N-[(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]propanamide
CID 126589603
(10S,23S)-18-chloro-10-ethyl-10-hydroxy-23-[[(2R)-2-hydroxypropyl]amino]-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 170428681
(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(prop-2-enylamino)-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 167273402
N-[(10S,23S)-10-ethyl-10-hydroxy-18,19-dimethyl-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(24),17,19-heptaen-23-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 170213945
3-amino-N-(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)-2-hydroxypropanamide
CID 174224241

Frequently Asked Questions

What is the IUPAC name of (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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 170290267) is (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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(P)c(C)c3c1c2[C@@H](NC)CC3.
What is the InChIKey of (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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 TWAUAJLTZMXNEE-LMKMVOKYSA-N. The full InChI is InChI=1S/C25H26N3O4P/c1-4-25(31)15-7-18-22-13(9-28(18)23(29)14(15)10-32-24(25)30)21-16(26-3)6-5-12-11(2)19(33)8-17(27-22)20(12)21/h7-8,16,26,31H,4-6,9-10,33H2,1-3H3/t16-,25-/m0/s1.
What are the key properties of (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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 463.47 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,23S)-10-ethyl-10-hydroxy-19-methyl-23-(methylamino)-18-phosphanyl-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 170290267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).