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

Systemtic Name: 2-acetamido-2-azanyl-4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 2-acetamido-2-amino-4-(2-guanidinothiazol-4-yl)-4-oxo-3-phenyl-butanoic acid CAS Name: 2-acetamido-2-amino-4-[2-(diaminomethylideneamino)-4-thiazolyl]-4-oxo-3-phenylbutanoic acid IUPAC Name: 2-acetamido-2-amino-4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-oxo-3-phenylbutanoic acid Traditional Name: 2-acetamido-2-amino-4-(2-guanidinothiazol-4-yl)-4-keto-3-phenyl-butyric acid Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=CSC(=N2)N=C(N)N)(C(=O)O)N

Isomeric SMILES

CC(=O)NC(C(C1=CC=CC=C1)C(=O)C2=CSC(=N2)N=C(N)N)(C(=O)O)N

InChI

InChI=1S/C16H18N6O4S/c1-8(23)22-16(19,13(25)26)11(9-5-3-2-4-6-9)12(24)10-7-27-15(20-10)21-14(17)18/h2-7,11H,19H2,1H3,(H,22,23)(H,25,26)(H4,17,18,20,21)