2-[bis(azanyl)methylideneamino]-3-[(5-oxidanyl-5-oxidanylidene-3-phenyl-pentanoyl)amino]-5-phenyl-2H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[bis(azanyl)methylideneamino]-3-[(5-oxidanyl-5-oxidanylidene-3-phenyl-pentanoyl)amino]-5-phenyl-2H-1,3-thiazole-4-carboxylic acid Openeye Name: 2-guanidino-3-[(5-hydroxy-5-oxo-3-phenyl-pentanoyl)amino]-5-phenyl-2H-thiazole-4-carboxylic acid CAS Name: 2-(diaminomethylideneamino)-3-[(5-hydroxy-1,5-dioxo-3-phenylpentyl)amino]-5-phenyl-2H-thiazole-4-carboxylic acid IUPAC Name: 2-(diaminomethylideneamino)-3-[(5-hydroxy-5-oxo-3-phenylpentanoyl)amino]-5-phenyl-2H-1,3-thiazole-4-carboxylic acid Traditional Name: 2-guanidino-3-[(5-hydroxy-5-keto-3-phenyl-pentanoyl)amino]-5-phenyl-4-thiazoline-4-carboxylic acid Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(S2)N=C(N)N)NC(=O)CC(CC(=O)O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(S2)N=C(N)N)NC(=O)CC(CC(=O)O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23N5O5S/c23-21(24)25-22-27(18(20(31)32)19(33-22)14-9-5-2-6-10-14)26-16(28)11-15(12-17(29)30)13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,26,28)(H,29,30)(H,31,32)(H4,23,24,25)