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C3M

Summary
Name:N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
Synonyms:INHIBITOR OF THROMBIN
Formula:C20 H22 N2 O3 S
Formal charge:0
Formula weight:370.465 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
OpenEye OEToolkits1.5.0N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]naphthalene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1ccccc1)[C@H](O)CN[S](=O)(=O)c2ccc3ccccc3c2
SMILESCACTVS3.341N[CH](Cc1ccccc1)[CH](O)CN[S](=O)(=O)c2ccc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(C(CNS(=O)(=O)c2ccc3ccccc3c2)O)N
InChIInChI1.03InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1
InChIKeyInChI1.03QSSWSEQPKCCATQ-VQTJNVASSA-N

218500

PDB entries from 2024-04-17

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