(3S)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-3-[(2-bromophenyl)carbonylamino]propanoate

Systemtic Name: (3S)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-3-[(2-bromophenyl)carbonylamino]propanoate Openeye Name: (3S)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-3-[(2-bromobenzoyl)amino]propanoate CAS Name: (3S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[[(2-bromophenyl)-oxomethyl]amino]propanoate IUPAC Name: (3S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-bromobenzoyl)amino]propanoate Traditional Name: (3S)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-3-[(2-bromobenzoyl)amino]propionate Formula: C19H18BrN2O6- MolecularWeight: 450.26002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])NC(=O)C2=CC=CC=C2Br)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC=CC=C2Br)OCC(=O)N

InChI

InChI=1S/C19H19BrN2O6/c1-27-16-8-11(6-7-15(16)28-10-17(21)23)14(9-18(24)25)22-19(26)12-4-2-3-5-13(12)20/h2-8,14H,9-10H2,1H3,(H2,21,23)(H,22,26)(H,24,25)/p-1/t14-/m0/s1