4-[2-[[4-(1,3-benzothiazol-6-ylamino)-6-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methylamino]-1,3,5-triazin-2-yl]-methyl-amino]ethyl-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[[4-(1,3-benzothiazol-6-ylamino)-6-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methylamino]-1,3,5-triazin-2-yl]-methyl-amino]ethyl-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[[4-(1,3-benzothiazol-6-ylamino)-6-[(6,6-dimethylnorpinan-2-yl)methylamino]-1,3,5-triazin-2-yl]-methyl-amino]ethyl-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[2-[[4-(1,3-benzothiazol-6-ylamino)-6-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[[4-(1,3-benzothiazol-6-ylamino)-6-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl-methylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[[4-(1,3-benzothiazol-6-ylamino)-6-[(6,6-dimethylnorpinan-2-yl)methylamino]-s-triazin-2-yl]-methyl-amino]ethyl-methyl-amino]-4-keto-butyric acid Formula: C28H38N8O3S MolecularWeight: 566.71812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1C2)CNC3=NC(=NC(=N3)NC4=CC5=C(C=C4)N=CS5)N(C)CCN(C)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1(C2CCC(C1C2)CNC3=NC(=NC(=N3)NC4=CC5=C(C=C4)N=CS5)N(C)CCN(C)C(=O)CCC(=O)O)C

InChI

InChI=1S/C28H38N8O3S/c1-28(2)18-6-5-17(20(28)13-18)15-29-25-32-26(31-19-7-8-21-22(14-19)40-16-30-21)34-27(33-25)36(4)12-11-35(3)23(37)9-10-24(38)39/h7-8,14,16-18,20H,5-6,9-13,15H2,1-4H3,(H,38,39)(H2,29,31,32,33,34)