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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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