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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(3-phenylpropanoyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-hydrocinnamoylpiperazine-1-carbonyl)-4-keto-azetidine-2-carboxylic acid Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O5/c1-16(24)25-11-5-8-18-20(22(31)32)28(21(18)30)23(33)27-14-12-26(13-15-27)19(29)10-9-17-6-3-2-4-7-17/h2-4,6-7,18,20,25H,1,5,8-15,24H2,(H,31,32)