methyl (2S)-4-methylsulfanyl-2-[2-[(4-phenoxyphenyl)carbonylamino]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[(4-phenoxyphenyl)carbonylamino]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[[oxo-(4-phenoxyphenyl)methyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]butyric acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-27-21(26)18(12-13-29-2)23-19(24)14-22-20(25)15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1