[3-bromanyl-1-(tert-butylamino)-1-oxidanylidene-butan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3-bromanyl-1-(tert-butylamino)-1-oxidanylidene-butan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-bromo-1-(tert-butylcarbamoyl)propyl] 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid [3-bromo-1-(tert-butylamino)-1-oxobutan-2-yl] ester IUPAC Name: [3-bromo-1-(tert-butylamino)-1-oxobutan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid [2-bromo-1-(tert-butylcarbamoyl)propyl] ester Formula: C19H27BrN2O5 MolecularWeight: 443.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN2O5/c1-12(20)15(16(23)22-19(3,4)5)27-17(24)13(2)21-18(25)26-11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3,(H,21,25)(H,22,23)