(phenylmethyl) (2S)-2-[(2-aminophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-aminophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[(2-aminophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate CAS Name: (2S)-2-[(2-aminophenyl)methyl-[(E)-1-oxobut-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-aminophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[(2-aminobenzyl)-[(E)-but-2-enoyl]amino]propionic acid benzyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(CC1=CC=CC=C1N)C(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C/C=C/C(=O)N(CC1=CC=CC=C1N)[C@@H](C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3/c1-3-9-20(24)23(14-18-12-7-8-13-19(18)22)16(2)21(25)26-15-17-10-5-4-6-11-17/h3-13,16H,14-15,22H2,1-2H3/b9-3+/t16-/m0/s1