[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C17H23BrN2O4/c1-4-14(5-2)20-15(21)10-24-17(23)11(3)19-16(22)12-6-8-13(18)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1