(2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid (2-anilino-2-keto-ethyl) ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)N

InChI

InChI=1S/C14H19N3O4S/c1-22-8-7-11(17-14(15)20)13(19)21-9-12(18)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18)(H3,15,17,20)/t11-/m0/s1