(2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21N3O6S/c1-31-11-10-17(21(27)28)22-20(26)18(23-19(25)15-7-3-2-4-8-15)13-14-6-5-9-16(12-14)24(29)30/h2-9,12-13,17H,10-11H2,1H3,(H,22,26)(H,23,25)(H,27,28)/b18-13+/t17-/m1/s1