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

Systemtic Name: tert-butyl 2-[[(E)-but-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]ethanoate Openeye Name: tert-butyl 2-[[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(E)-but-2-enoyl]amino]acetate CAS Name: 2-[[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-[(E)-1-oxobut-2-enyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(E)-but-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]acetate Traditional Name: 2-[[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(E)-but-2-enoyl]amino]acetic acid tert-butyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(CC(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C/C=C/C(=O)N(CC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H33N3O6/c1-7-11-18(27)26(14-19(28)32-23(4,5)6)25-21(29)20(16(2)3)24-22(30)31-15-17-12-9-8-10-13-17/h7-13,16,20H,14-15H2,1-6H3,(H,24,30)(H,25,29)/b11-7+/t20-/m0/s1