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

Systemtic Name: 2-acetamido-2-azanyl-4-[2-[bis(azanyl)methylideneamino]-5-methyl-1,3-thiazol-4-yl]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-acetamido-2-amino-4-(2-guanidino-5-methyl-thiazol-4-yl)-4-oxo-3-phenyl-butanoic acid CAS Name: 2-acetamido-2-amino-4-[2-(diaminomethylideneamino)-5-methyl-4-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-acetamido-2-amino-4-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-acetamido-2-amino-4-(2-guanidino-5-methyl-thiazol-4-yl)-4-keto-3-phenyl-butyric acid Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N=C(N)N)C(=O)C(C2=CC=CC=C2)C(C(=O)O)(N)NC(=O)C

Isomeric SMILES

CC1=C(N=C(S1)N=C(N)N)C(=O)C(C2=CC=CC=C2)C(C(=O)O)(N)NC(=O)C

InChI

InChI=1S/C17H20N6O4S/c1-8-12(21-16(28-8)22-15(18)19)13(25)11(10-6-4-3-5-7-10)17(20,14(26)27)23-9(2)24/h3-7,11H,20H2,1-2H3,(H,23,24)(H,26,27)(H4,18,19,21,22)