3-azanyl-4-[2-[[(E)-but-2-enoyl]amino]ethyl-phenylmethoxy-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-[[(E)-but-2-enoyl]amino]ethyl-phenylmethoxy-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[benzyloxy-[2-[[(E)-but-2-enoyl]amino]ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-oxo-4-[2-[[(E)-1-oxobut-2-enyl]amino]ethyl-phenylmethoxyamino]butanoic acid IUPAC Name: 3-amino-4-[2-[[(E)-but-2-enoyl]amino]ethyl-phenylmethoxyamino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[benzoxy-[2-[[(E)-but-2-enoyl]amino]ethyl]amino]-4-keto-butyric acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NCCN(C(=O)C(CC(=O)O)N)OCC1=CC=CC=C1

Isomeric SMILES

C/C=C/C(=O)NCCN(C(=O)C(CC(=O)O)N)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O5/c1-2-6-15(21)19-9-10-20(17(24)14(18)11-16(22)23)25-12-13-7-4-3-5-8-13/h2-8,14H,9-12,18H2,1H3,(H,19,21)(H,22,23)/b6-2+