Basic information
- Standard SMILES
COC12C(CO)C3=C(C(=O)C(C)=C(OCCSSCCO)C3=O)N1CC1NC12.NC(=O)O- InChIKey
GOMJIKMERGJKAF-UHFFFAOYSA-N- Molecular formula
- C19H27N3O8S2
- Average molar mass
- 489.6 g/mol
Names & identifiers
- Preferred name
- 1,1a,2,8,8a,8b-Hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-[2-(2-hydroxyethyldithio)ethoxy]azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione carbamate
- IUPAC
- carbamic acid;11-[2-(2-hydroxyethyldisulfanyl)ethoxy]-8-(hydroxymethyl)-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione
Names & synonyms
SCHEMBL10493494GOMJIKMERGJKAF-UHFFFAOYSA-N1,1a,2,8,8a,8b-Hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-[2-(2-hydroxyethyldithio)ethoxy]azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione carbamate
Database identifiers
- PubChem CID
- 19904341
Properties
Computed structural properties
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 802
Related reactions
1 records
Compound notes
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