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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-1-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 1-[4-(2-amino-3-phenyl-propanoyl)piperazine-1-carbonyl]-3-[3-(1-aminovinylamino)propyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-1-[[4-(2-amino-1-oxo-3-phenylpropyl)-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-[4-(2-amino-3-phenylpropanoyl)piperazine-1-carbonyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-4-keto-1-(4-phenylalanylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O5/c1-15(24)26-9-5-8-17-19(22(32)33)29(20(17)30)23(34)28-12-10-27(11-13-28)21(31)18(25)14-16-6-3-2-4-7-16/h2-4,6-7,17-19,26H,1,5,8-14,24-25H2,(H,32,33)