3-azanyl-4-oxidanylidene-4-[[1-(3-oxidanylideneprop-2-enoylamino)-2-phenylmethoxy-propyl]amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[[1-(3-oxidanylideneprop-2-enoylamino)-2-phenylmethoxy-propyl]amino]butanoic acid Openeye Name: 3-amino-4-[[2-benzyloxy-1-(3-oxoprop-2-enoylamino)propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-(1,3-dioxoprop-2-enylamino)-2-phenylmethoxypropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-oxo-4-[[1-(3-oxoprop-2-enoylamino)-2-phenylmethoxypropyl]amino]butanoic acid Traditional Name: 3-amino-4-[[2-benzoxy-1-[(3-ketoacryloyl)amino]propyl]amino]-4-keto-butyric acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-11(26-10-12-5-3-2-4-6-12)16(19-14(22)7-8-21)20-17(25)13(18)9-15(23)24/h2-7,11,13,16H,9-10,18H2,1H3,(H,19,22)(H,20,25)(H,23,24)