[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (2S,3S)-2-(aminocarbonylamino)-3-methyl-pentanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (2S,3S)-2-(aminocarbonylamino)-3-methyl-pentanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] (2S,3S)-3-methyl-2-ureido-pentanoate CAS Name: (2S,3S)-2-(carbamoylamino)-3-methylpentanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-ureido-valeric acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C15H20BrN3O4 MolecularWeight: 386.241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3O4/c1-3-9(2)13(19-15(17)22)14(21)23-8-12(20)18-11-6-4-10(16)5-7-11/h4-7,9,13H,3,8H2,1-2H3,(H,18,20)(H3,17,19,22)/t9-,13-/m0/s1