2-azanyl-3-[2-[2,6-bis(azanyl)hexanoyl]-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2,6-bis(azanyl)hexanoyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2,6-diaminohexanoyl)-4-hydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2,6-diamino-1-oxohexyl)-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2,6-diaminohexanoyl)-4-hydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2,6-diaminohexanoyl)-4-hydroxy-phenyl]propionic acid Formula: C15H23N3O4 MolecularWeight: 309.36082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(=O)C(CCCCN)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1O)C(=O)C(CCCCN)N)CC(C(=O)O)N

InChI

InChI=1S/C15H23N3O4/c16-6-2-1-3-12(17)14(20)11-8-10(19)5-4-9(11)7-13(18)15(21)22/h4-5,8,12-13,19H,1-3,6-7,16-18H2,(H,21,22)