ethyl 2-[[2-(2-bromanylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[2-(2-bromanylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[(2-bromoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(2-bromo-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-bromoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(2-bromoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CBr

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CBr

InChI

InChI=1S/C22H25BrN2O4/c1-2-29-22(28)19(14-17-11-7-4-8-12-17)25-21(27)18(24-20(26)15-23)13-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15H2,1H3,(H,24,26)(H,25,27)