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

Systemtic Name: 2-azanyl-2-benzamido-4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-amino-2-benzamido-4-(2-guanidinothiazol-4-yl)-4-oxo-3-phenyl-butanoic acid CAS Name: 2-amino-2-benzamido-4-[2-(diaminomethylideneamino)-4-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-amino-2-benzamido-4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-amino-2-benzamido-4-(2-guanidinothiazol-4-yl)-4-keto-3-phenyl-butyric acid Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O4S/c22-19(23)26-20-25-14(11-32-20)16(28)15(12-7-3-1-4-8-12)21(24,18(30)31)27-17(29)13-9-5-2-6-10-13/h1-11,15H,24H2,(H,27,29)(H,30,31)(H4,22,23,25,26)