2-[2-(aminocarbonylamino)ethanoylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate

Systemtic Name: 2-[2-(aminocarbonylamino)ethanoylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate Openeye Name: 2-(hydantoylamino)-3-(1H-imidazol-3-ium-5-yl)propanoate CAS Name: 2-[[2-(carbamoylamino)-1-oxoethyl]amino]-3-(1H-imidazol-3-ium-5-yl)propanoate IUPAC Name: 2-[[2-(carbamoylamino)acetyl]amino]-3-(1H-imidazol-3-ium-5-yl)propanoate Traditional Name: 2-(hydantoylamino)-3-(1H-imidazol-3-ium-5-yl)propionate Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=[NH+]1)CC(C(=O)[O-])NC(=O)CNC(=O)N

Isomeric SMILES

C1=C(NC=[NH+]1)CC(C(=O)[O-])NC(=O)CNC(=O)N

InChI

InChI=1S/C9H13N5O4/c10-9(18)12-3-7(15)14-6(8(16)17)1-5-2-11-4-13-5/h2,4,6H,1,3H2,(H,11,13)(H,14,15)(H,16,17)(H3,10,12,18)