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

Systemtic Name: 2-acetamido-2-azanyl-4-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-cyclopropyl-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-acetamido-2-amino-3-cyclopropyl-4-(2-guanidino-4-methyl-thiazol-5-yl)-4-oxo-3-phenyl-butanoic acid CAS Name: 2-acetamido-2-amino-3-cyclopropyl-4-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-acetamido-2-amino-3-cyclopropyl-4-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-acetamido-2-amino-3-cyclopropyl-4-(2-guanidino-4-methyl-thiazol-5-yl)-4-keto-3-phenyl-butyric acid Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C2CC2)(C3=CC=CC=C3)C(C(=O)O)(N)NC(=O)C

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C2CC2)(C3=CC=CC=C3)C(C(=O)O)(N)NC(=O)C

InChI

InChI=1S/C20H24N6O4S/c1-10-14(31-18(24-10)25-17(21)22)15(28)19(13-8-9-13,12-6-4-3-5-7-12)20(23,16(29)30)26-11(2)27/h3-7,13H,8-9,23H2,1-2H3,(H,26,27)(H,29,30)(H4,21,22,24,25)