Basic information
- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCN(S(=O)(=O)CC(C(=O)OC(C)(C)C)C(C)C)C3- InChIKey
GVDCBZJSZBTVOF-UHFFFAOYSA-N- Molecular formula
- C22H32N2O5S
- Average molar mass
- 436.6 g/mol
Names & identifiers
- Preferred name
- 2-(6-Methoxy-1,3,4,9-tetrahydro-beta-carboline-2-sulfonylmethyl)-3-methylbutyric acid tert-butyl ester
- IUPAC
- tert-butyl 2-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)sulfonylmethyl]-3-methylbutanoate
Names & synonyms
SCHEMBL6788424GVDCBZJSZBTVOF-UHFFFAOYSA-N2-(6-methoxy-1,3,4,9-tetrahydro-beta-carboline-2-sulfonylmethyl)-3-methyl-butyric acid tert-butyl ester2-(6-Methoxy-1,3,4,9-tetrahydro-beta-carboline-2-sulfonylmethyl)-3-methylbutyric acid tert-butyl ester2-(6-Methoxy-1,3,4,9-tetrahydro-beta-carboline-2-sulfonylmethyl)-3methylbutyric Acid Tert-Butyl Ester
Database identifiers
- PubChem CID
- 69895664
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
Related reactions
6 records
Compound notes
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