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

Systemtic Name: 3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]methyl]-4-oxidanylidene-3-phenyl-4-phenylazanyl-butanoic acid Openeye Name: 4-anilino-3-[(2-guanidino-4-methyl-thiazol-5-yl)methyl]-4-oxo-3-phenyl-butanoic acid CAS Name: 4-anilino-3-[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]methyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 4-anilino-3-[[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]methyl]-4-oxo-3-phenylbutanoic acid Traditional Name: 4-anilino-3-[(2-guanidino-4-methyl-thiazol-5-yl)methyl]-4-keto-3-phenyl-butyric acid Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)CC(CC(=O)O)(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)CC(CC(=O)O)(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-14-17(31-21(25-14)27-20(23)24)12-22(13-18(28)29,15-8-4-2-5-9-15)19(30)26-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,26,30)(H,28,29)(H4,23,24,25,27)