(4-cyanophenyl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid (4-cyanobenzyl) ester Formula: C14H17N3O3S MolecularWeight: 307.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)N

InChI

InChI=1S/C14H17N3O3S/c1-21-7-6-12(17-14(16)19)13(18)20-9-11-4-2-10(8-15)3-5-11/h2-5,12H,6-7,9H2,1H3,(H3,16,17,19)/t12-/m1/s1