4-[[2-[9-[bis(azanyl)methylideneamino]nonanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-methyl-heptanoic acid

Systemtic Name: 4-[[2-[9-[bis(azanyl)methylideneamino]nonanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-6-methyl-heptanoic acid Openeye Name: 4-[[2-(9-guanidinononanoylamino)-4-hydroxy-4-oxo-butanoyl]amino]-6-methyl-heptanoic acid CAS Name: 4-[[2-[[9-(diaminomethylideneamino)-1-oxononyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-6-methylheptanoic acid IUPAC Name: 4-[[2-[9-(diaminomethylideneamino)nonanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-6-methylheptanoic acid Traditional Name: 4-[[2-(9-guanidinononanoylamino)-4-hydroxy-4-keto-butanoyl]amino]-6-methyl-enanthic acid Formula: C22H41N5O6 MolecularWeight: 471.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCCCCCN=C(N)N

Isomeric SMILES

CC(C)CC(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCCCCCCN=C(N)N

InChI

InChI=1S/C22H41N5O6/c1-15(2)13-16(10-11-19(29)30)26-21(33)17(14-20(31)32)27-18(28)9-7-5-3-4-6-8-12-25-22(23)24/h15-17H,3-14H2,1-2H3,(H,26,33)(H,27,28)(H,29,30)(H,31,32)(H4,23,24,25)