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

Systemtic Name: 3-methylbutan-2-yl 1-[3-[3-[bis(azanyl)methylideneamino]propyl]-2-oxidanylidene-4-piperazin-1-ylcarbonyl-azetidin-1-yl]carbonylpiperidine-4-carboxylate Openeye Name: 1,2-dimethylpropyl 1-[3-(3-guanidinopropyl)-2-oxo-4-(piperazine-1-carbonyl)azetidine-1-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-[3-(diaminomethylideneamino)propyl]-2-oxo-4-[oxo(1-piperazinyl)methyl]-1-azetidinyl]-oxomethyl]-4-piperidinecarboxylic acid 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-2-yl 1-[3-[3-(diaminomethylideneamino)propyl]-2-oxo-4-(piperazine-1-carbonyl)azetidine-1-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-guanidinopropyl)-2-keto-4-(piperazine-1-carbonyl)azetidine-1-carbonyl]isonipecotic acid 1,2-dimethylpropyl ester Formula: C24H41N7O5 MolecularWeight: 507.62624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)OC(=O)C1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)C(C)OC(=O)C1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)N3CCNCC3

InChI

InChI=1S/C24H41N7O5/c1-15(2)16(3)36-22(34)17-6-11-30(12-7-17)24(35)31-19(21(33)29-13-9-27-10-14-29)18(20(31)32)5-4-8-28-23(25)26/h15-19,27H,4-14H2,1-3H3,(H4,25,26,28)