methyl 2-[2-[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(2S)-4-methylsulfanyl-2-ureido-butanoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(2S)-4-(methylthio)-2-ureido-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H21N3O6S/c1-24-14(21)10-5-3-4-6-11(10)18-13(20)9-25-15(22)12(7-8-26-2)19-16(17)23/h3-6,12H,7-9H2,1-2H3,(H,18,20)(H3,17,19,23)/t12-/m0/s1