6-azanyl-2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]hexanoic acid Formula: C21H35N5O5 MolecularWeight: 437.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)N)O

InChI

InChI=1S/C21H35N5O5/c22-11-3-1-5-17(20(29)26-18(21(30)31)6-2-4-12-23)25-19(28)16(24)13-14-7-9-15(27)10-8-14/h7-10,16-18,27H,1-6,11-13,22-24H2,(H,25,28)(H,26,29)(H,30,31)