(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 1-(phenylmethyl)urea

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 1-(phenylmethyl)urea Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; benzylurea CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (phenylmethyl)urea IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; benzylurea Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; benzylurea Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)N.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N.C1=C(NC=N1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C8H10N2O.C6H9N3O2/c9-8(11)10-6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4/h1-5H,6H2,(H3,9,10,11);2-3,5H,1,7H2,(H,8,9)(H,10,11)/t;5-/m.0/s1