2-azanyl-2-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]carbonyl]-3-phenyl-hexanoic acid

Systemtic Name: 2-azanyl-2-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]carbonyl]-3-phenyl-hexanoic acid Openeye Name: 2-amino-2-(2-guanidinothiazole-4-carbonyl)-3-phenyl-hexanoic acid CAS Name: 2-amino-2-[[2-(diaminomethylideneamino)-4-thiazolyl]-oxomethyl]-3-phenylhexanoic acid IUPAC Name: 2-amino-2-[2-(diaminomethylideneamino)-1,3-thiazole-4-carbonyl]-3-phenylhexanoic acid Traditional Name: 2-amino-2-(2-guanidinothiazole-4-carbonyl)-3-phenyl-hexanoic acid Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S/c1-2-6-11(10-7-4-3-5-8-10)17(20,14(24)25)13(23)12-9-26-16(21-12)22-15(18)19/h3-5,7-9,11H,2,6,20H2,1H3,(H,24,25)(H4,18,19,21,22)