2-aminocarbonyl-3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-3,4-diphenyl-butanoic acid

Systemtic Name: 2-aminocarbonyl-3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-2-methyl-3,4-diphenyl-butanoic acid Openeye Name: 2-carbamoyl-3-(2-guanidino-4-methyl-thiazol-5-yl)-2-methyl-3,4-diphenyl-butanoic acid CAS Name: 2-carbamoyl-3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-2-methyl-3,4-diphenylbutanoic acid IUPAC Name: 2-carbamoyl-3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3,4-diphenylbutanoic acid Traditional Name: 2-carbamoyl-3-(2-guanidino-4-methyl-thiazol-5-yl)-2-methyl-3,4-diphenyl-butyric acid Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(CC2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C(=O)N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(CC2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C(=O)N)C(=O)O

InChI

InChI=1S/C23H25N5O3S/c1-14-17(32-21(27-14)28-20(25)26)23(16-11-7-4-8-12-16,13-15-9-5-3-6-10-15)22(2,18(24)29)19(30)31/h3-12H,13H2,1-2H3,(H2,24,29)(H,30,31)(H4,25,26,27,28)