2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-(3-oxidanylidene-3-phenyl-propanoyl)benzoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-(3-oxidanylidene-3-phenyl-propanoyl)benzoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-(3-oxo-3-phenyl-propanoyl)benzoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-(1,3-dioxo-3-phenylpropyl)benzoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-(3-oxo-3-phenylpropanoyl)benzoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 2-(3-keto-3-phenyl-propanoyl)benzoic acid Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C16H12O4.C6H14N4O2/c17-14(11-6-2-1-3-7-11)10-15(18)12-8-4-5-9-13(12)16(19)20;7-4(5(11)12)2-1-3-10-6(8)9/h1-9H,10H2,(H,19,20);4H,1-3,7H2,(H,11,12)(H4,8,9,10)