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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(4-phenylmethoxycarbonylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-benzyloxycarbonylpiperazine-1-carbonyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-(4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-(4-phenylmethoxycarbonylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-carbobenzoxypiperazine-1-carbonyl)-4-keto-azetidine-2-carboxylic acid Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H29N5O6/c1-15(23)24-9-5-8-17-18(20(29)30)27(19(17)28)21(31)25-10-12-26(13-11-25)22(32)33-14-16-6-3-2-4-7-16/h2-4,6-7,17-18,24H,1,5,8-14,23H2,(H,29,30)