2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid 2-phthalimidoethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)N

InChI

InChI=1S/C16H19N3O5S/c1-25-9-6-12(18-16(17)23)15(22)24-8-7-19-13(20)10-4-2-3-5-11(10)14(19)21/h2-5,12H,6-9H2,1H3,(H3,17,18,23)/t12-/m1/s1