[2-oxidanylidene-2-(phenethylamino)ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)N

InChI

InChI=1S/C16H23N3O4S/c1-24-10-8-13(19-16(17)22)15(21)23-11-14(20)18-9-7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,20)(H3,17,19,22)/t13-/m1/s1