[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] (2R)-2-benzamido-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-benzamido-3-(phenylmethylthio)propanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-benzamido-3-benzylsulfanylpropanoate Traditional Name: (2R)-2-benzamido-3-(benzylthio)propionic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)C(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)[C@H](CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O5S/c1-16-12-20(26-31-16)25-21(27)13-30-23(29)19(15-32-14-17-8-4-2-5-9-17)24-22(28)18-10-6-3-7-11-18/h2-12,19H,13-15H2,1H3,(H,24,28)(H,25,26,27)/t19-/m0/s1