3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(4-phenethylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(4-phenethylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-(4-phenethylpiperazine-1-carbonyl)azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-(4-phenethyl-1-piperazinyl)methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-(4-phenethylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-(4-phenethylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H31N5O4/c1-16(23)24-10-5-8-18-19(21(29)30)27(20(18)28)22(31)26-14-12-25(13-15-26)11-9-17-6-3-2-4-7-17/h2-4,6-7,18-19,24H,1,5,8-15,23H2,(H,29,30)