[1-(tert-butylamino)-3-chloranyl-1-oxidanylidene-propan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [1-(tert-butylamino)-3-chloranyl-1-oxidanylidene-propan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(tert-butylamino)-1-(chloromethyl)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid [1-(tert-butylamino)-3-chloro-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-chloro-1-oxopropan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid [2-(tert-butylamino)-1-(chloromethyl)-2-keto-ethyl] ester Formula: C18H25ClN2O5 MolecularWeight: 384.8545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5/c1-12(20-17(24)25-11-13-8-6-5-7-9-13)16(23)26-14(10-19)15(22)21-18(2,3)4/h5-9,12,14H,10-11H2,1-4H3,(H,20,24)(H,21,22)