4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoic acid

Systemtic Name: 4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoic acid Openeye Name: 4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoic acid CAS Name: 4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-(3-hydroxyphenyl)benzoic acid IUPAC Name: 4-[(2-acetamido-6-aminohexanoyl)amino]-2-(3-hydroxyphenyl)benzoic acid Traditional Name: 4-[(2-acetamido-6-amino-hexanoyl)amino]-2-(3-hydroxyphenyl)benzoic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)O)C2=CC(=CC=C2)O

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)O)C2=CC(=CC=C2)O

InChI

InChI=1S/C21H25N3O5/c1-13(25)23-19(7-2-3-10-22)20(27)24-15-8-9-17(21(28)29)18(12-15)14-5-4-6-16(26)11-14/h4-6,8-9,11-12,19,26H,2-3,7,10,22H2,1H3,(H,23,25)(H,24,27)(H,28,29)