2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-3-mercapto-propionic acid Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6S/c18-11(7-9-1-3-10(22)4-2-9)15(24)20-12(5-6-14(19)23)16(25)21-13(8-28)17(26)27/h1-4,11-13,22,28H,5-8,18H2,(H2,19,23)(H,20,24)(H,21,25)(H,26,27)