2-[2-[[2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-azanyl-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[[2-amino-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoyl]amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[[2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[[2-amino-3-[[(E)-4-keto-4-methoxy-but-2-enoyl]amino]propanoyl]amino]propanoylamino]-4-(methylthio)butyric acid Formula: C16H26N4O7S MolecularWeight: 418.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CNC(=O)C=CC(=O)OC)N

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CNC(=O)/C=C/C(=O)OC)N

InChI

InChI=1S/C16H26N4O7S/c1-9(14(23)20-11(16(25)26)6-7-28-3)19-15(24)10(17)8-18-12(21)4-5-13(22)27-2/h4-5,9-11H,6-8,17H2,1-3H3,(H,18,21)(H,19,24)(H,20,23)(H,25,26)/b5-4+