methyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]butanoate

Systemtic Name: methyl 4-[[4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoyl]amino]butanoate Openeye Name: methyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]butanoate CAS Name: 4-[[4-(methylthio)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]butanoate Traditional Name: 4-[[4-(methylthio)-2-[(2-phenoxyacetyl)amino]butanoyl]amino]butyric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C(CCSC)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCNC(=O)C(CCSC)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O5S/c1-24-17(22)9-6-11-19-18(23)15(10-12-26-2)20-16(21)13-25-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,19,23)(H,20,21)