(2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione

C26H41N3O5S — CID 146222069

IUPAC(2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione
SMILESC/C(=C\c1csc(C)n1)[C@H]1NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@]2(N)CC1O2
InChIInChI=1S/C26H41N3O5S/c1-14-8-7-9-26(27)12-19(34-26)22(15(2)10-18-13-35-17(4)28-18)29-21(31)11-20(30)25(5,6)24(33)16(3)23(14)32/h10,13-14,16,19-20,22-23,30,32H,7-9,11-12,27H2,1-6H3,(H,29,31)/b15-10+/t14-,16+,19?,20-,22+,23-,26+/m0/s1
InChIKeyAEEXOKYHNHUXKA-SYISXQGBSA-N
MW507.70 g/mol
LogP2.95
Rot. Bonds2

About (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione

(2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione (PubChem CID 146222069) has the molecular formula C26H41N3O5S and a molecular weight of 507.70 g/mol. Its IUPAC name is (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione.

Molecular Properties

Compound Name(2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione
PubChem CID146222069
Molecular FormulaC26H41N3O5S
Molecular Weight507.70 g/mol
Exact Mass507.28
IUPAC Name(2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione
SMILESC/C(=C\c1csc(C)n1)[C@H]1NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@]2(N)CC1O2
InChIInChI=1S/C26H41N3O5S/c1-14-8-7-9-26(27)12-19(34-26)22(15(2)10-18-13-35-17(4)28-18)29-21(31)11-20(30)25(5,6)24(33)16(3)23(14)32/h10,13-14,16,19-20,22-23,30,32H,7-9,11-12,27H2,1-6H3,(H,29,31)/b15-10+/t14-,16+,19?,20-,22+,23-,26+/m0/s1
InChIKeyAEEXOKYHNHUXKA-SYISXQGBSA-N
XLogP2.95
TPSA134.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.70
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione?
The IUPAC name of (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione (CID 146222069) is (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione.
What is the SMILES notation for (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione?
The canonical SMILES for (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione is C/C(=C\c1csc(C)n1)[C@H]1NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@]2(N)CC1O2.
What is the InChIKey of (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione?
The InChIKey is AEEXOKYHNHUXKA-SYISXQGBSA-N. The full InChI is InChI=1S/C26H41N3O5S/c1-14-8-7-9-26(27)12-19(34-26)22(15(2)10-18-13-35-17(4)28-18)29-21(31)11-20(30)25(5,6)24(33)16(3)23(14)32/h10,13-14,16,19-20,22-23,30,32H,7-9,11-12,27H2,1-6H3,(H,29,31)/b15-10+/t14-,16+,19?,20-,22+,23-,26+/m0/s1.
What are the key properties of (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione?
(2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione has a molecular weight of 507.70 g/mol, XLogP of 2.95, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,9R,10S,11S,15R)-15-amino-6,10-dihydroxy-7,7,9,11-tetramethyl-2-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-16-oxa-3-azabicyclo[13.1.1]heptadecane-4,8-dione is sourced from PubChem (CID 146222069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).