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Summary
Name:N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
Synonyms:WRR-204
Formula:C34 H36 N2 O6 S
Formal charge:0
Formula weight:600.724 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01phenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate
OpenEye OEToolkits1.7.0phenyl (3S)-5-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-sulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Oc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4
SMILES_CANONICALCACTVS3.370O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc2ccccc2)CC[S](=O)(=O)Oc3ccccc3)OCc4ccccc4
SMILESCACTVS3.370O=C(N[CH](Cc1ccccc1)C(=O)N[CH](CCc2ccccc2)CC[S](=O)(=O)Oc3ccccc3)OCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4
InChIInChI1.03InChI=1S/C34H36N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)/t30-,32-/m0/s1
InChIKeyInChI1.03SUGQHICXCRBQOI-CDZUIXILSA-N

222415

數據於2024-07-10公開中

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