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

Systemtic Name: 2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]-3-methyl-butyric acid Formula: C20H32N4O5 MolecularWeight: 408.49188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5/c1-12(2)17(20(28)29)24-19(27)16(5-3-4-10-21)23-18(26)15(22)11-13-6-8-14(25)9-7-13/h6-9,12,15-17,25H,3-5,10-11,21-22H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)