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S1F

Summary
Name:(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H18 N2 O5
Formal charge:0
Formula weight:354.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
OpenEye OEToolkits2.0.7(1~{S},2~{S})-1-[[4-(methoxycarbonylamino)phenyl]carbonylamino]-2,3-dihydro-1~{H}-indene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
InChIInChI1.06InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1
InChIKeyInChI1.06QZUXMBWCGJKNAA-JKSUJKDBSA-N
SMILES_CANONICALCACTVS3.385COC(=O)Nc1ccc(cc1)C(=O)N[C@H]2[C@H](Cc3ccccc23)C(O)=O
SMILESCACTVS3.385COC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C(=O)O
SMILESOpenEye OEToolkits2.0.7COC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O

222415

数据于2024-07-10公开中

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