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

Systemtic Name: 2-azanyl-2-benzamido-4-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-amino-2-benzamido-4-(2-guanidino-4-methyl-thiazol-5-yl)-4-oxo-3-phenyl-butanoic acid CAS Name: 2-amino-2-benzamido-4-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-amino-2-benzamido-4-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-amino-2-benzamido-4-(2-guanidino-4-methyl-thiazol-5-yl)-4-keto-3-phenyl-butyric acid Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C2=CC=CC=C2)C(C(=O)O)(N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C2=CC=CC=C2)C(C(=O)O)(N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N6O4S/c1-12-17(33-21(26-12)27-20(23)24)16(29)15(13-8-4-2-5-9-13)22(25,19(31)32)28-18(30)14-10-6-3-7-11-14/h2-11,15H,25H2,1H3,(H,28,30)(H,31,32)(H4,23,24,26,27)