tert-butyl 2-[[(Z)-3-chloranylprop-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(Z)-3-chloranylprop-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]ethanoate Openeye Name: tert-butyl 2-[[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(Z)-3-chloroprop-2-enoyl]amino]acetate CAS Name: 2-[[(Z)-3-chloro-1-oxoprop-2-enyl]-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(Z)-3-chloroprop-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]acetate Traditional Name: 2-[[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(Z)-3-chloroacryloyl]amino]acetic acid tert-butyl ester Formula: C22H30ClN3O6 MolecularWeight: 467.9431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CC(=O)OC(C)(C)C)C(=O)C=CCl)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)NN(CC(=O)OC(C)(C)C)C(=O)/C=C\Cl)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H30ClN3O6/c1-15(2)19(24-21(30)31-14-16-9-7-6-8-10-16)20(29)25-26(17(27)11-12-23)13-18(28)32-22(3,4)5/h6-12,15,19H,13-14H2,1-5H3,(H,24,30)(H,25,29)/b12-11-/t19-/m0/s1