[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C15H21N3O4S/c1-10(13(19)17-11-6-4-3-5-7-11)22-14(20)12(8-9-23-2)18-15(16)21/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)(H3,16,18,21)/t10-,12-/m0/s1