6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-(1H-imidazol-5-yl)-2-(tyrosylamino)propanoyl]amino]hexanoic acid Formula: C21H30N6O5 MolecularWeight: 446.5001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)O)N)O

InChI

InChI=1S/C21H30N6O5/c22-8-2-1-3-17(21(31)32)26-20(30)18(10-14-11-24-12-25-14)27-19(29)16(23)9-13-4-6-15(28)7-5-13/h4-7,11-12,16-18,28H,1-3,8-10,22-23H2,(H,24,25)(H,26,30)(H,27,29)(H,31,32)