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

Systemtic Name: ethyl (2S)-2-[[(E)-2-acetamido-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(E)-2-acetamido-2-[(E)-cinnamyl]-5-phenyl-pent-4-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-2-acetamido-1-oxo-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(E)-2-acetamido-5-phenyl-2-[(E)-3-phenylprop-2-enyl]pent-4-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-2-acetamido-2-[(E)-cinnamyl]-5-phenyl-pent-4-enoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C33H36N2O4 MolecularWeight: 524.64994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC=CC2=CC=CC=C2)(CC=CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](NC(=O)C(NC(=O)C)(C/C=C/C1=CC=CC=C1)C/C=C/C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C33H36N2O4/c1-3-39-31(37)30(25-29-19-11-6-12-20-29)34-32(38)33(35-26(2)36,23-13-21-27-15-7-4-8-16-27)24-14-22-28-17-9-5-10-18-28/h4-22,30H,3,23-25H2,1-2H3,(H,34,38)(H,35,36)/b21-13+,22-14+/t30-/m0/s1