5-benzamido-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid

Systemtic Name: 5-benzamido-8-[bis(azanyl)methylideneamino]-4-oxidanylidene-2-(phenylmethyl)octanoic acid Openeye Name: 5-benzamido-2-benzyl-8-guanidino-4-oxo-octanoic acid CAS Name: 5-benzamido-8-(diaminomethylideneamino)-4-oxo-2-(phenylmethyl)octanoic acid IUPAC Name: 5-benzamido-2-benzyl-8-(diaminomethylideneamino)-4-oxooctanoic acid Traditional Name: 5-benzamido-2-benzyl-8-guanidino-4-keto-caprylic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)NC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C(CCCN=C(N)N)NC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H28N4O4/c24-23(25)26-13-7-12-19(27-21(29)17-10-5-2-6-11-17)20(28)15-18(22(30)31)14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,27,29)(H,30,31)(H4,24,25,26)