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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O5/c22-8-2-1-3-17(20(30)27-18(21(31)32)10-14-11-24-12-25-14)26-19(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,26,29)(H,27,30)(H,31,32)