2-benzamido-5-[bis(azanyl)methylideneamino]-2-iodanyl-pentanoic acid

Systemtic Name: 2-benzamido-5-[bis(azanyl)methylideneamino]-2-iodanyl-pentanoic acid Openeye Name: 2-benzamido-5-guanidino-2-iodo-pentanoic acid CAS Name: 2-benzamido-5-(diaminomethylideneamino)-2-iodopentanoic acid IUPAC Name: 2-benzamido-5-(diaminomethylideneamino)-2-iodopentanoic acid Traditional Name: 2-benzamido-5-guanidino-2-iodo-valeric acid Formula: C13H17IN4O3 MolecularWeight: 404.20355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)(C(=O)O)I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)(C(=O)O)I

InChI

InChI=1S/C13H17IN4O3/c14-13(11(20)21,7-4-8-17-12(15)16)18-10(19)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,18,19)(H,20,21)(H4,15,16,17)