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

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

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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)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=C(SC(=N2)N=C(N)N)C3=CC=CC=C3)(C(=O)O)N

InChI

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