[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C14H18BrN3O4S MolecularWeight: 404.27942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O4S/c1-23-6-5-11(18-14(16)21)13(20)22-8-12(19)17-10-4-2-3-9(15)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,17,19)(H3,16,18,21)/t11-/m1/s1