methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-phenylazanyl-butanoate

Systemtic Name: methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-phenylazanyl-butanoate Openeye Name: methyl (2R,3S)-2-anilino-3-[(4-bromobenzoyl)amino]butanoate CAS Name: (2R,3S)-2-anilino-3-[[(4-bromophenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-anilino-3-[(4-bromobenzoyl)amino]butanoate Traditional Name: (2R,3S)-2-anilino-3-[(4-bromobenzoyl)amino]butyric acid methyl ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H]([C@H](C(=O)OC)NC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O3/c1-12(20-17(22)13-8-10-14(19)11-9-13)16(18(23)24-2)21-15-6-4-3-5-7-15/h3-12,16,21H,1-2H3,(H,20,22)/t12-,16+/m0/s1