tert-butyl 2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid tert-butyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(CC1=CN=CN1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26N4O5/c1-20(2,3)29-17(25)11-22-18(26)16(9-15-10-21-13-23-15)24-19(27)28-12-14-7-5-4-6-8-14/h4-8,10,13,16H,9,11-12H2,1-3H3,(H,21,23)(H,22,26)(H,24,27)/t16-/m0/s1