2-(2-azanylbutanoylamino)-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoic acid

Systemtic Name: 2-(2-azanylbutanoylamino)-3-[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]amino]propanoic acid Openeye Name: 2-(2-aminobutanoylamino)-3-[[(E)-4-methoxy-4-oxo-but-2-enoyl]amino]propanoic acid CAS Name: 2-[(2-amino-1-oxobutyl)amino]-3-[[(E)-4-methoxy-1,4-dioxobut-2-enyl]amino]propanoic acid IUPAC Name: 2-(2-aminobutanoylamino)-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid Traditional Name: 2-(2-aminobutanoylamino)-3-[[(E)-4-keto-4-methoxy-but-2-enoyl]amino]propionic acid Formula: C12H19N3O6 MolecularWeight: 301.29576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C(=O)NC(CNC(=O)/C=C/C(=O)OC)C(=O)O)N

InChI

InChI=1S/C12H19N3O6/c1-3-7(13)11(18)15-8(12(19)20)6-14-9(16)4-5-10(17)21-2/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16)(H,15,18)(H,19,20)/b5-4+