tert-butyl 2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoyl]amino]acetic acid tert-butyl ester Formula: C23H34N2O7S MolecularWeight: 482.59026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC(=C)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C23H34N2O7S/c1-16(33(29,30)23(5,6)7)15-31-21(28)25-18(13-17-11-9-8-10-12-17)20(27)24-14-19(26)32-22(2,3)4/h8-12,18H,1,13-15H2,2-7H3,(H,24,27)(H,25,28)/t18-/m0/s1