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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-(4-phenethyloxycarbonylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-(4-phenethyloxycarbonylpiperazine-1-carbonyl)azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[4-[oxo(phenethyloxy)methyl]-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-(4-phenethyloxycarbonylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-(4-phenethyloxycarbonylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Formula: C23H31N5O6 MolecularWeight: 473.52214

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H31N5O6/c1-16(24)25-10-5-8-18-19(21(30)31)28(20(18)29)22(32)26-11-13-27(14-12-26)23(33)34-15-9-17-6-3-2-4-7-17/h2-4,6-7,18-19,25H,1,5,8-15,24H2,(H,30,31)