methyl (2S)-2-[2-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl]amino]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl]amino]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-[[(E)-2-benzoyl-3-ethoxy-3-oxo-prop-1-enyl]amino]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[[(E)-2-benzoyl-3-ethoxy-3-oxoprop-1-enyl]amino]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(E)-2-benzoyl-3-ethoxy-3-oxoprop-1-enyl]amino]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[[(E)-2-benzoyl-3-ethoxy-3-keto-prop-1-enyl]amino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNCC(=O)NC(CC(C)C)C(=O)OC)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C(=C/NCC(=O)N[C@@H](CC(C)C)C(=O)OC)/C(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H28N2O6/c1-5-29-20(26)16(19(25)15-9-7-6-8-10-15)12-22-13-18(24)23-17(11-14(2)3)21(27)28-4/h6-10,12,14,17,22H,5,11,13H2,1-4H3,(H,23,24)/b16-12+/t17-/m0/s1