butyl 4-[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: butyl 4-[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: butyl 4-[[(2S)-2-benzamido-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-benzamido-4-(methylthio)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(2S)-2-benzamido-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-benzamido-4-(methylthio)butanoyl]amino]benzoic acid butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-3-4-15-29-23(28)18-10-12-19(13-11-18)24-22(27)20(14-16-30-2)25-21(26)17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1