methyl (2S)-2-[[(E)-2-acetamido-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-2-acetamido-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-2-acetamido-2-[(E)-cinnamyl]-5-phenyl-pent-4-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(E)-2-acetamido-1-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-2-acetamido-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(E)-2-acetamido-2-[(E)-cinnamyl]-5-phenyl-pent-4-enoyl]amino]-3-methyl-butyric acid methyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CC=CC1=CC=CC=C1)(CC=CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-21(2)25(26(32)34-4)29-27(33)28(30-22(3)31,19-11-17-23-13-7-5-8-14-23)20-12-18-24-15-9-6-10-16-24/h5-18,21,25H,19-20H2,1-4H3,(H,29,33)(H,30,31)/b17-11+,18-12+/t25-/m0/s1