[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H22BrN3O4 MolecularWeight: 400.26758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O4/c1-11(15(22)20-13-8-6-12(17)7-9-13)24-14(21)5-3-2-4-10-19-16(18)23/h6-9,11H,2-5,10H2,1H3,(H,20,22)(H3,18,19,23)/t11-/m1/s1