(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propionate Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(CC2=CN=CN2)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC2=CN=CN2)[NH3+]

InChI

InChI=1S/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)/t12-,13-/m0/s1