(2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)imidazol-4-yl]propanoate Openeye Name: (2S)-3-(1-benzylimidazol-4-yl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylmethyl)-4-imidazolyl]propanoate IUPAC Name: (2S)-3-(1-benzylimidazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(1-benzylimidazol-4-yl)-2-(benzyloxycarbonylamino)propionate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=C2)C[C@@H](C(=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c25-20(26)19(23-21(27)28-14-17-9-5-2-6-10-17)11-18-13-24(15-22-18)12-16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2,(H,23,27)(H,25,26)/p-1/t19-/m0/s1