6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[5-hydroxy-5-keto-2-(tyrosylamino)pentanoyl]amino]hexanoic acid Formula: C20H30N4O7 MolecularWeight: 438.4748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O7/c21-10-2-1-3-16(20(30)31)24-19(29)15(8-9-17(26)27)23-18(28)14(22)11-12-4-6-13(25)7-5-12/h4-7,14-16,25H,1-3,8-11,21-22H2,(H,23,28)(H,24,29)(H,26,27)(H,30,31)