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

Systemtic Name: 2-azanyl-2-benzamido-4-[2-[bis(azanyl)methylideneamino]-4-tert-butyl-1,3-thiazol-5-yl]-4-oxidanylidene-3-pyridin-3-yl-butanoic acid Openeye Name: 2-amino-2-benzamido-4-(4-tert-butyl-2-guanidino-thiazol-5-yl)-4-oxo-3-(3-pyridyl)butanoic acid CAS Name: 2-amino-2-benzamido-4-[4-tert-butyl-2-(diaminomethylideneamino)-5-thiazolyl]-4-oxo-3-(3-pyridinyl)butanoic acid IUPAC Name: 2-amino-2-benzamido-4-[4-tert-butyl-2-(diaminomethylideneamino)-1,3-thiazol-5-yl]-4-oxo-3-pyridin-3-ylbutanoic acid Traditional Name: 2-amino-2-benzamido-4-(4-tert-butyl-2-guanidino-thiazol-5-yl)-4-keto-3-(3-pyridyl)butyric acid Formula: C24H27N7O4S MolecularWeight: 509.58068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)N=C(N)N)C(=O)C(C2=CN=CC=C2)C(C(=O)O)(N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)N=C(N)N)C(=O)C(C2=CN=CC=C2)C(C(=O)O)(N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N7O4S/c1-23(2,3)18-17(36-22(29-18)30-21(25)26)16(32)15(14-10-7-11-28-12-14)24(27,20(34)35)31-19(33)13-8-5-4-6-9-13/h4-12,15H,27H2,1-3H3,(H,31,33)(H,34,35)(H4,25,26,29,30)