(2S,3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pentanamide

Systemtic Name: (2S,3R)-3-azanyl-5-ethylsulfanyl-2-oxidanyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pentanamide Openeye Name: (2S,3R)-3-amino-5-ethylsulfanyl-2-hydroxy-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pentanamide CAS Name: (2S,3R)-3-amino-5-(ethylthio)-2-hydroxy-N-[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]pentanamide IUPAC Name: (2S,3R)-3-amino-5-ethylsulfanyl-2-hydroxy-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pentanamide Traditional Name: (2S,3R)-3-amino-5-(ethylthio)-2-hydroxy-N-[4-[[(E)-3-phenylacryloyl]amino]phenyl]valeramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(C(=O)NC1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2)O)N

Isomeric SMILES

CCSCC[C@H]([C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2)O)N

InChI

InChI=1S/C22H27N3O3S/c1-2-29-15-14-19(23)21(27)22(28)25-18-11-9-17(10-12-18)24-20(26)13-8-16-6-4-3-5-7-16/h3-13,19,21,27H,2,14-15,23H2,1H3,(H,24,26)(H,25,28)/b13-8+/t19-,21+/m1/s1