[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(4-phenoxyanilino)ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(4-phenoxyanilino)ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H23N3O5S/c1-29-12-11-17(23-20(21)26)19(25)27-13-18(24)22-14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,22,24)(H3,21,23,26)/t17-/m0/s1