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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)N.C1=CC=C(C=C1)CNC(=O)N

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)N.C1=CC=C(C=C1)CNC(=O)N

InChI

InChI=1S/C8H10N2O.C7H11N3O2/c9-8(11)10-6-7-4-2-1-3-5-7;1-12-7(11)6(8)2-5-3-9-4-10-5/h1-5H,6H2,(H3,9,10,11);3-4,6H,2,8H2,1H3,(H,9,10)/t;6-/m.0/s1