(10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione

C26H24N2O5S — CID 172514792

IUPAC(10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(OC(C)C)c3c1c2C=CS3
InChIInChI=1S/C26H24N2O5S/c1-5-26(31)17-9-19-21-15(10-28(19)24(29)16(17)11-32-25(26)30)14-6-7-34-23-20(14)18(27-21)8-13(4)22(23)33-12(2)3/h6-9,12,31H,5,10-11H2,1-4H3/t26-/m0/s1
InChIKeyMKCOIOIBNFPGJQ-SANMLTNESA-N
MW476.55 g/mol
LogP4.25
Rot. Bonds3

About (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione

(10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione (PubChem CID 172514792) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione.

Molecular Properties

Compound Name(10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
PubChem CID172514792
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name(10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(OC(C)C)c3c1c2C=CS3
InChIInChI=1S/C26H24N2O5S/c1-5-26(31)17-9-19-21-15(10-28(19)24(29)16(17)11-32-25(26)30)14-6-7-34-23-20(14)18(27-21)8-13(4)22(23)33-12(2)3/h6-9,12,31H,5,10-11H2,1-4H3/t26-/m0/s1
InChIKeyMKCOIOIBNFPGJQ-SANMLTNESA-N
XLogP4.25
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione with MolForge

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Related Compounds

(10S)-10-ethyl-10-hydroxy-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
CID 172514888
(10S)-19-amino-10-ethyl-10-hydroxy-18-methyl-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
CID 172514891
(19S)-19-ethyl-19-hydroxy-7,8,10-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 54005453
19-ethyl-19-hydroxy-8,10-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 10429595
5-ethyl-5-hydroxy-14-methyl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CID 19608474
(5S)-5-ethyl-5-hydroxy-14-propan-2-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CID 139571743
(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
(19S)-10-benzyl-19-ethyl-19-hydroxy-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 13192383
(19S)-19-ethyl-19-hydroxy-7-methoxy-10-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 57181553
(10S)-10-ethyl-18-fluoro-10-hydroxy-19-(propan-2-ylamino)-8,21-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24),22-octaene-5,9-dione
CID 172514785
(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-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 11465396
(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

Frequently Asked Questions

What is the IUPAC name of (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
The IUPAC name of (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione (CID 172514792) is (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione.
What is the SMILES notation for (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
The canonical SMILES for (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(C)c(OC(C)C)c3c1c2C=CS3.
What is the InChIKey of (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
The InChIKey is MKCOIOIBNFPGJQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-5-26(31)17-9-19-21-15(10-28(19)24(29)16(17)11-32-25(26)30)14-6-7-34-23-20(14)18(27-21)8-13(4)22(23)33-12(2)3/h6-9,12,31H,5,10-11H2,1-4H3/t26-/m0/s1.
What are the key properties of (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione?
(10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione has a molecular weight of 476.55 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-ethyl-10-hydroxy-18-methyl-19-propan-2-yloxy-8-oxa-21-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione is sourced from PubChem (CID 172514792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).