(6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone

C26H40N2O7S — CID 6636503

IUPAC(6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone
SMILESCO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)CC=C[C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@H]1C
InChIInChI=1S/C26H40N2O7S/c1-18-8-5-11-23(29)27-20(13-15-36-4)25(31)35-17-22(33-3)19(2)9-6-12-24(30)28-14-7-10-21(28)26(32)34-16-18/h5-6,8-9,18-22H,7,10-17H2,1-4H3,(H,27,29)/t18-,19-,20+,21+,22-/m1/s1
InChIKeyRBDFTCPQVXLSOL-LXHROKJGSA-N
MW524.68 g/mol
LogP2.50
Rot. Bonds4

About (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone

(6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone (PubChem CID 6636503) has the molecular formula C26H40N2O7S and a molecular weight of 524.68 g/mol. Its IUPAC name is (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone.

Molecular Properties

Compound Name(6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone
PubChem CID6636503
Molecular FormulaC26H40N2O7S
Molecular Weight524.68 g/mol
Exact Mass524.26
IUPAC Name(6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone
SMILESCO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)CC=C[C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@H]1C
InChIInChI=1S/C26H40N2O7S/c1-18-8-5-11-23(29)27-20(13-15-36-4)25(31)35-17-22(33-3)19(2)9-6-12-24(30)28-14-7-10-21(28)26(32)34-16-18/h5-6,8-9,18-22H,7,10-17H2,1-4H3,(H,27,29)/t18-,19-,20+,21+,22-/m1/s1
InChIKeyRBDFTCPQVXLSOL-LXHROKJGSA-N
XLogP2.50
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone?
The IUPAC name of (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone (CID 6636503) is (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone.
What is the SMILES notation for (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone?
The canonical SMILES for (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone is CO[C@@H]1COC(=O)[C@H](CCSC)NC(=O)CC=C[C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@H]1C.
What is the InChIKey of (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone?
The InChIKey is RBDFTCPQVXLSOL-LXHROKJGSA-N. The full InChI is InChI=1S/C26H40N2O7S/c1-18-8-5-11-23(29)27-20(13-15-36-4)25(31)35-17-22(33-3)19(2)9-6-12-24(30)28-14-7-10-21(28)26(32)34-16-18/h5-6,8-9,18-22H,7,10-17H2,1-4H3,(H,27,29)/t18-,19-,20+,21+,22-/m1/s1.
What are the key properties of (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone?
(6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone has a molecular weight of 524.68 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,11S,17R,21S)-7-methoxy-6,17-dimethyl-11-(2-methylsulfanylethyl)-9,19-dioxa-1,12-diazabicyclo[19.3.0]tetracosa-4,15-diene-2,10,13,20-tetrone is sourced from PubChem (CID 6636503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).