ethyl (2S,3S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: ethyl (2S,3S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoate Openeye Name: ethyl (2S,3S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-hydroxybutanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-3-hydroxy-butyric acid ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)O)NC(=O)C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C)O)NC(=O)/C(=C\C1=CC=C(C=C1)Br)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23BrN2O5/c1-3-30-22(29)19(14(2)26)25-21(28)18(13-15-9-11-17(23)12-10-15)24-20(27)16-7-5-4-6-8-16/h4-14,19,26H,3H2,1-2H3,(H,24,27)(H,25,28)/b18-13+/t14-,19-/m0/s1