(4S)-5-azanyl-5-oxidanylidene-4-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[2-[[4-[(E)-3-oxidanylideneprop-1-enyl]phenyl]carbonylamino]ethanoylamino]pentanoyl]amino]pentanoic acid

Systemtic Name: (4S)-5-azanyl-5-oxidanylidene-4-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[2-[[4-[(E)-3-oxidanylideneprop-1-enyl]phenyl]carbonylamino]ethanoylamino]pentanoyl]amino]pentanoic acid Openeye Name: (4S)-5-amino-4-[[(2S)-5-hydroxy-5-oxo-2-[[2-[[4-[(E)-3-oxoprop-1-enyl]benzoyl]amino]acetyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-amino-4-[[(2S)-5-hydroxy-1,5-dioxo-2-[[1-oxo-2-[[oxo-[4-[(E)-3-oxoprop-1-enyl]phenyl]methyl]amino]ethyl]amino]pentyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-amino-4-[[(2S)-5-hydroxy-5-oxo-2-[[2-[[4-[(E)-3-oxoprop-1-enyl]benzoyl]amino]acetyl]amino]pentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-amino-4-[[(2S)-5-hydroxy-5-keto-2-[[2-[[4-[(E)-3-ketoprop-1-enyl]benzoyl]amino]acetyl]amino]pentanoyl]amino]-5-keto-valeric acid Formula: C22H26N4O9 MolecularWeight: 490.46324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC=O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O9/c23-20(33)15(7-9-18(29)30)26-22(35)16(8-10-19(31)32)25-17(28)12-24-21(34)14-5-3-13(4-6-14)2-1-11-27/h1-6,11,15-16H,7-10,12H2,(H2,23,33)(H,24,34)(H,25,28)(H,26,35)(H,29,30)(H,31,32)/b2-1+/t15-,16-/m0/s1