(2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(3-nitrophenyl)pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-3-methyl-N-(3-nitrophenyl)pentanamide Openeye Name: (2S,3S)-3-methyl-N-(3-nitrophenyl)-2-ureido-pentanamide CAS Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(3-nitrophenyl)pentanamide IUPAC Name: (2S,3S)-2-(carbamoylamino)-3-methyl-N-(3-nitrophenyl)pentanamide Traditional Name: (2S,3S)-3-methyl-N-(3-nitrophenyl)-2-ureido-valeramide Formula: C13H18N4O4 MolecularWeight: 294.30642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-3-8(2)11(16-13(14)19)12(18)15-9-5-4-6-10(7-9)17(20)21/h4-8,11H,3H2,1-2H3,(H,15,18)(H3,14,16,19)/t8-,11-/m0/s1