4-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-4-[[5-hydroxy-5-keto-2-(tyrosylamino)pentanoyl]amino]-5-keto-valeric acid Formula: C22H30N4O10S MolecularWeight: 542.5594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O10S/c23-13(9-11-1-3-12(27)4-2-11)19(32)24-14(5-7-17(28)29)20(33)25-15(6-8-18(30)31)21(34)26-16(10-37)22(35)36/h1-4,13-16,27,37H,5-10,23H2,(H,24,32)(H,25,33)(H,26,34)(H,28,29)(H,30,31)(H,35,36)