(4S)-5-ethoxy-4-[2-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-ethoxy-4-[2-[[(E)-2-ethoxycarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[2-[[(E)-2-benzoyl-3-ethoxy-3-oxo-prop-1-enyl]amino]acetyl]amino]-5-ethoxy-5-oxo-pentanoic acid CAS Name: (4S)-4-[[2-[[(E)-2-benzoyl-3-ethoxy-3-oxoprop-1-enyl]amino]-1-oxoethyl]amino]-5-ethoxy-5-oxopentanoic acid IUPAC Name: (4S)-4-[[2-[[(E)-2-benzoyl-3-ethoxy-3-oxoprop-1-enyl]amino]acetyl]amino]-5-ethoxy-5-oxopentanoic acid Traditional Name: (4S)-4-[[2-[[(E)-2-benzoyl-3-ethoxy-3-keto-prop-1-enyl]amino]acetyl]amino]-5-ethoxy-5-keto-valeric acid Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)O)NC(=O)CNC=C(C(=O)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H](CCC(=O)O)NC(=O)CN/C=C(\C(=O)C1=CC=CC=C1)/C(=O)OCC

InChI

InChI=1S/C21H26N2O8/c1-3-30-20(28)15(19(27)14-8-6-5-7-9-14)12-22-13-17(24)23-16(10-11-18(25)26)21(29)31-4-2/h5-9,12,16,22H,3-4,10-11,13H2,1-2H3,(H,23,24)(H,25,26)/b15-12+/t16-/m0/s1