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RWC

Summary
Name:(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
Formula:C21 H21 N3 O4
Formal charge:0
Formula weight:379.409 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
OpenEye OEToolkits2.0.7(3~{S})-1-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3,4-dihydro-2~{H}-quinoline-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1CC(Cc2ccccc21)C(=O)O
InChIInChI1.06InChI=1S/C21H21N3O4/c25-19(13-5-7-16(8-6-13)22-21(28)23-17-9-10-17)24-12-15(20(26)27)11-14-3-1-2-4-18(14)24/h1-8,15,17H,9-12H2,(H,26,27)(H2,22,23,28)/t15-/m0/s1
InChIKeyInChI1.06AOHBVEDXTIZALI-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)c4ccccc4C1
SMILESCACTVS3.385OC(=O)[CH]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)c4ccccc4C1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C[C@@H](CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CC(CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O

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건을2024-07-10부터공개중

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