(2S,3S)-2-(aminocarbonylamino)-N-(4-iodophenyl)-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-(4-iodophenyl)-3-methyl-pentanamide Openeye Name: (2S,3S)-N-(4-iodophenyl)-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-N-(4-iodophenyl)-3-methylpentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-N-(4-iodophenyl)-3-methylpentanamide Traditional Name: (2S,3S)-N-(4-iodophenyl)-3-methyl-2-ureido-valeramide Formula: C13H18IN3O2 MolecularWeight: 375.20539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)I)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H18IN3O2/c1-3-8(2)11(17-13(15)19)12(18)16-10-6-4-9(14)5-7-10/h4-8,11H,3H2,1-2H3,(H,16,18)(H3,15,17,19)/t8-,11-/m0/s1