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

Systemtic Name: 5-benzamido-8-[bis(azanyl)methylideneamino]-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-octanoic acid Openeye Name: 5-benzamido-8-guanidino-2-[(4-hydroxyphenyl)methyl]-4-oxo-octanoic acid CAS Name: 5-benzamido-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid IUPAC Name: 5-benzamido-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid Traditional Name: 5-benzamido-8-guanidino-2-(4-hydroxybenzyl)-4-keto-caprylic acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)CC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)CC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C23H28N4O5/c24-23(25)26-12-4-7-19(27-21(30)16-5-2-1-3-6-16)20(29)14-17(22(31)32)13-15-8-10-18(28)11-9-15/h1-3,5-6,8-11,17,19,28H,4,7,12-14H2,(H,27,30)(H,31,32)(H4,24,25,26)