[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)propanoate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCNC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCNC(=O)N

InChI

InChI=1S/C13H16BrN3O4/c1-8(21-11(18)6-7-16-13(15)20)12(19)17-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H,17,19)(H3,15,16,20)/t8-/m1/s1