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

Systemtic Name: 2-acetamido-2-azanyl-4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-4-oxidanylidene-3-pyridin-3-yl-butanoic acid Openeye Name: 2-acetamido-2-amino-4-(2-guanidinothiazol-4-yl)-4-oxo-3-(3-pyridyl)butanoic acid CAS Name: 2-acetamido-2-amino-4-[2-(diaminomethylideneamino)-4-thiazolyl]-4-oxo-3-(3-pyridinyl)butanoic acid IUPAC Name: 2-acetamido-2-amino-4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-oxo-3-pyridin-3-ylbutanoic acid Traditional Name: 2-acetamido-2-amino-4-(2-guanidinothiazol-4-yl)-4-keto-3-(3-pyridyl)butyric acid Formula: C15H17N7O4S MolecularWeight: 391.40498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7O4S/c1-7(23)22-15(18,12(25)26)10(8-3-2-4-19-5-8)11(24)9-6-27-14(20-9)21-13(16)17/h2-6,10H,18H2,1H3,(H,22,23)(H,25,26)(H4,16,17,20,21)