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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-3-8-15(21)19(4-2)20(17(24)14(18)11-16(22)23)25-12-13-9-6-5-7-10-13/h3,5-10,14H,4,11-12,18H2,1-2H3,(H,22,23)/b8-3+