Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

667

Summary
Name:6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE
Formula:C14 H15 N O5 S
Formal charge:0
Formula weight:309.338 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Oc1cc2OC(=O)C3=C(c2cc1)CCCCC3)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)Oc1ccc2C3=C(CCCCC3)C(=O)Oc2c1
SMILESCACTVS3.341N[S](=O)(=O)Oc1ccc2C3=C(CCCCC3)C(=O)Oc2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3
InChIInChI1.03InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
InChIKeyInChI1.03DSLPMJSGSBLWRE-UHFFFAOYSA-N

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon