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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O5/c1-3-13(2)18(21(29)30)25-20(28)17(6-4-5-11-22)24-19(27)16(23)12-14-7-9-15(26)10-8-14/h7-10,13,16-18,26H,3-6,11-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)