3-[2-[[2-azanyl-3-[(4-methoxy-4-oxidanylidene-but-2-enoyl)amino]propanoyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[2-[[2-azanyl-3-[(4-methoxy-4-oxidanylidene-but-2-enoyl)amino]propanoyl]amino]phenyl]propanoic acid Openeye Name: 3-[2-[[2-amino-3-[(4-methoxy-4-oxo-but-2-enoyl)amino]propanoyl]amino]phenyl]propanoic acid CAS Name: 3-[2-[[2-amino-3-[(4-methoxy-1,4-dioxobut-2-enyl)amino]-1-oxopropyl]amino]phenyl]propanoic acid IUPAC Name: 3-[2-[[2-amino-3-[(4-methoxy-4-oxobut-2-enoyl)amino]propanoyl]amino]phenyl]propanoic acid Traditional Name: 3-[2-[[2-amino-3-[(4-keto-4-methoxy-but-2-enoyl)amino]propanoyl]amino]phenyl]propionic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NCC(C(=O)NC1=CC=CC=C1CCC(=O)O)N

Isomeric SMILES

COC(=O)C=CC(=O)NCC(C(=O)NC1=CC=CC=C1CCC(=O)O)N

InChI

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