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

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 1-methyl-1-(phenylmethyl)urea Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 1-benzyl-1-methyl-urea CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 1-methyl-1-(phenylmethyl)urea IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 1-benzyl-1-methylurea Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; 1-benzyl-1-methyl-urea Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)N.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)N.C1=C(NC=N1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H12N2O.C6H9N3O2/c1-11(9(10)12)7-8-5-3-2-4-6-8;7-5(6(10)11)1-4-2-8-3-9-4/h2-6H,7H2,1H3,(H2,10,12);2-3,5H,1,7H2,(H,8,9)(H,10,11)/t;5-/m.0/s1