3-[[3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[3-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[3-[[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[3-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C21H22N6O5S2 MolecularWeight: 502.56658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N6O5S2/c1-12-18(33-21(24-12)26-20(22)23)19(30)25-14-8-5-9-15(10-14)34(31,32)27-16(11-17(28)29)13-6-3-2-4-7-13/h2-10,16,27H,11H2,1H3,(H,25,30)(H,28,29)(H4,22,23,24,26)