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A1A7M

Summary
Name:(3R)-3-(2,4-difluorophenyl)-3-[(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonyl)amino]propanoic acid
Formula:C18 H16 F2 N2 O3
Formal charge:0
Formula weight:346.328 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3R)-3-(2,4-difluorophenyl)-3-[(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonyl)amino]propanoic acid
OpenEye OEToolkits3.1.0.0(3~{R})-3-[2,4-bis(fluoranyl)phenyl]-3-(6,7-dihydro-5~{H}-cyclopenta[c]pyridin-4-ylcarbonylamino)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc(c(F)c1)C(CC(=O)O)NC(=O)c1cncc2CCCc12
InChIInChI1.06InChI=1S/C18H16F2N2O3/c19-11-4-5-13(15(20)6-11)16(7-17(23)24)22-18(25)14-9-21-8-10-2-1-3-12(10)14/h4-6,8-9,16H,1-3,7H2,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyInChI1.06VHQBHGSPCBWIHX-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C[C@@H](NC(=O)c1cncc2CCCc12)c3ccc(F)cc3F
SMILESCACTVS3.385OC(=O)C[CH](NC(=O)c1cncc2CCCc12)c3ccc(F)cc3F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1F)F)[C@@H](CC(=O)O)NC(=O)c2cncc3c2CCC3
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1F)F)C(CC(=O)O)NC(=O)c2cncc3c2CCC3

251801

PDB entries from 2026-04-08

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