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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(3-phenylpropoxycarbonyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-4-oxo-1-[4-(3-phenylpropoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[oxo-[4-[oxo(3-phenylpropoxy)methyl]-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-4-oxo-1-[4-(3-phenylpropoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-[4-(3-phenylpropoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C24H33N5O6 MolecularWeight: 487.54872

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H33N5O6/c1-17(25)26-11-5-10-19-20(22(31)32)29(21(19)30)23(33)27-12-14-28(15-13-27)24(34)35-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,19-20,26H,1,5-6,9-16,25H2,(H,31,32)