3-methylbutan-2-yl 4-[3-[3-[bis(azanyl)methylideneamino]propyl]-2-oxidanylidene-4-piperazin-1-ylcarbonyl-azetidin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: 3-methylbutan-2-yl 4-[3-[3-[bis(azanyl)methylideneamino]propyl]-2-oxidanylidene-4-piperazin-1-ylcarbonyl-azetidin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: 1,2-dimethylpropyl 4-[3-(3-guanidinopropyl)-2-oxo-4-(piperazine-1-carbonyl)azetidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[3-(diaminomethylideneamino)propyl]-2-oxo-4-[oxo(1-piperazinyl)methyl]-1-azetidinyl]-oxomethyl]-1-piperazinecarboxylic acid 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-2-yl 4-[3-[3-(diaminomethylideneamino)propyl]-2-oxo-4-(piperazine-1-carbonyl)azetidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-guanidinopropyl)-2-keto-4-(piperazine-1-carbonyl)azetidine-1-carbonyl]piperazine-1-carboxylic acid 1,2-dimethylpropyl ester Formula: C23H40N8O5 MolecularWeight: 508.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)C(C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)N3CCNCC3

InChI

InChI=1S/C23H40N8O5/c1-15(2)16(3)36-23(35)30-13-11-29(12-14-30)22(34)31-18(20(33)28-9-7-26-8-10-28)17(19(31)32)5-4-6-27-21(24)25/h15-18,26H,4-14H2,1-3H3,(H4,24,25,27)