3-[3-(1-azanylethylideneamino)propyl]-1-[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethylideneamino)propyl]-1-[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminoethylideneamino)propyl]-1-[4-(tert-butylcarbamoyl)piperazine-1-carbonyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethylideneamino)propyl]-1-[[4-[(tert-butylamino)-oxomethyl]-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethylideneamino)propyl]-1-[4-(tert-butylcarbamoyl)piperazine-1-carbonyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminoethylideneamino)propyl]-1-[4-(tert-butylcarbamoyl)piperazine-1-carbonyl]-4-keto-azetidine-2-carboxylic acid Formula: C19H32N6O5 MolecularWeight: 424.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)NC(C)(C)C)C(=O)O)N

Isomeric SMILES

CC(=NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)NC(C)(C)C)C(=O)O)N

InChI

InChI=1S/C19H32N6O5/c1-12(20)21-7-5-6-13-14(16(27)28)25(15(13)26)18(30)24-10-8-23(9-11-24)17(29)22-19(2,3)4/h13-14H,5-11H2,1-4H3,(H2,20,21)(H,22,29)(H,27,28)