2-acetamido-2-azanyl-4-[2-[bis(azanyl)methylideneamino]-5-tert-butyl-1,3-thiazol-4-yl]-4-oxidanylidene-3-phenyl-butanoic acid

Systemtic Name: 2-acetamido-2-azanyl-4-[2-[bis(azanyl)methylideneamino]-5-tert-butyl-1,3-thiazol-4-yl]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-acetamido-2-amino-4-(5-tert-butyl-2-guanidino-thiazol-4-yl)-4-oxo-3-phenyl-butanoic acid CAS Name: 2-acetamido-2-amino-4-[5-tert-butyl-2-(diaminomethylideneamino)-4-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-acetamido-2-amino-4-[5-tert-butyl-2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-acetamido-2-amino-4-(5-tert-butyl-2-guanidino-thiazol-4-yl)-4-keto-3-phenyl-butyric acid Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=C(SC(=N2)N=C(N)N)C(C)(C)C)(C(=O)O)N

Isomeric SMILES

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=C(SC(=N2)N=C(N)N)C(C)(C)C)(C(=O)O)N

InChI

InChI=1S/C20H26N6O4S/c1-10(27)26-20(23,16(29)30)12(11-8-6-5-7-9-11)14(28)13-15(19(2,3)4)31-18(24-13)25-17(21)22/h5-9,12H,23H2,1-4H3,(H,26,27)(H,29,30)(H4,21,22,24,25)