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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(2-phenylethanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-[4-(2-phenylacetyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[4-(2-phenylacetyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-[4-(2-phenylacetyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H29N5O5/c1-15(23)24-9-5-8-17-19(21(30)31)27(20(17)29)22(32)26-12-10-25(11-13-26)18(28)14-16-6-3-2-4-7-16/h2-4,6-7,17,19,24H,1,5,8-14,23H2,(H,30,31)