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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O4S/c1-9(24)23-17(20,15(26)27)13(10-5-3-2-4-6-10)14(25)11-8-28-12(22-11)7-21-16(18)19/h2-6,8,13H,7,20H2,1H3,(H,23,24)(H,26,27)(H4,18,19,21)