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

Systemtic Name: 2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]-4-methyl-valeric acid Formula: C21H34N4O5 MolecularWeight: 422.51846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C21H34N4O5/c1-13(2)11-18(21(29)30)25-20(28)17(5-3-4-10-22)24-19(27)16(23)12-14-6-8-15(26)9-7-14/h6-9,13,16-18,26H,3-5,10-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)