5-azanyl-2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]-5-keto-valeric acid Formula: C20H31N5O6 MolecularWeight: 437.49004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)O)N)O

InChI

InChI=1S/C20H31N5O6/c21-10-2-1-3-15(19(29)25-16(20(30)31)8-9-17(23)27)24-18(28)14(22)11-12-4-6-13(26)7-5-12/h4-7,14-16,26H,1-3,8-11,21-22H2,(H2,23,27)(H,24,28)(H,25,29)(H,30,31)