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

1RA

Summary
Name:ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
Formula:C23 H23 N3 O4
Formal charge:0
Formula weight:405.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
OpenEye OEToolkits1.7.6ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]carbamoyl]indole-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1CC1)c2cc(c(cc2)C)NC(=O)c3ccc4c(c3)n(cc4)C(=O)OCC
InChIInChI1.03InChI=1S/C23H23N3O4/c1-3-30-23(29)26-11-10-15-6-7-17(13-20(15)26)22(28)25-19-12-16(5-4-14(19)2)21(27)24-18-8-9-18/h4-7,10-13,18H,3,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyInChI1.03SNCXIBOVAVIFGA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCOC(=O)n1ccc2ccc(cc12)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4
SMILESCACTVS3.370CCOC(=O)n1ccc2ccc(cc12)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4
SMILESOpenEye OEToolkits1.7.6CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon