3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(1-phenylethylcarbamoyl)azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(1-phenylethylcarbamoyl)azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-(1-phenylethylcarbamoyl)azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-(1-phenylethylamino)methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-(1-phenylethylcarbamoyl)azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-(1-phenylethylcarbamoyl)azetidine-2-carboxylic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)O

InChI

InChI=1S/C18H24N4O4/c1-11(13-7-4-3-5-8-13)21-18(26)22-15(17(24)25)14(16(22)23)9-6-10-20-12(2)19/h3-5,7-8,11,14-15,20H,2,6,9-10,19H2,1H3,(H,21,26)(H,24,25)