(2R)-4-(hexylamino)-4-oxidanylidene-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid

Systemtic Name: (2R)-4-(hexylamino)-4-oxidanylidene-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid Openeye Name: (2R)-4-(hexylamino)-4-oxo-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid CAS Name: (2R)-4-(hexylamino)-4-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid IUPAC Name: (2R)-4-(hexylamino)-4-oxo-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid Traditional Name: (2R)-4-(hexylamino)-4-keto-2-[[(E)-3-phenylacryloyl]amino]butyric acid Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CC(C(=O)O)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCCCCCNC(=O)C[C@H](C(=O)O)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C19H26N2O4/c1-2-3-4-8-13-20-18(23)14-16(19(24)25)21-17(22)12-11-15-9-6-5-7-10-15/h5-7,9-12,16H,2-4,8,13-14H2,1H3,(H,20,23)(H,21,22)(H,24,25)/b12-11+/t16-/m1/s1