N-methyl-4-[[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide

Systemtic Name: N-methyl-4-[[(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzamide Openeye Name: N-methyl-4-[[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide CAS Name: N-methyl-4-[[(2S)-4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzamide IUPAC Name: N-methyl-4-[[(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Traditional Name: N-methyl-4-[[(2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-22-20(26)15-8-10-16(11-9-15)23-21(27)18(12-13-29-2)24-19(25)14-28-17-6-4-3-5-7-17/h3-11,18H,12-14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)/t18-/m0/s1