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4CP

Summary
Name:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
Formula:C18 H20 Cl N5 O2 S
Formal charge:0
Formula weight:405.902 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide
OpenEye OEToolkits1.5.0(2S)-3-(4-carbamimidamidophenyl)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2ccc(SCC(=O)NC(C(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2
SMILES_CANONICALCACTVS3.341NC(=N)Nc1ccc(C[C@H](NC(=O)CSc2ccc(Cl)cc2)C(N)=O)cc1
SMILESCACTVS3.341NC(=N)Nc1ccc(C[CH](NC(=O)CSc2ccc(Cl)cc2)C(N)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl
SMILESOpenEye OEToolkits1.5.0[H]N=C(N)Nc1ccc(cc1)CC(C(=O)N)NC(=O)CSc2ccc(cc2)Cl
InChIInChI1.03InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1
InChIKeyInChI1.03IEEYGOJDTRVYGR-HNNXBMFYSA-N

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PDB entries from 2024-07-10

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