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

Systemtic Name: 2-[[2-[(3-azanyl-2-sulfanyl-5-sulfo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfo-propanoic acid Openeye Name: 2-[[2-[(3-amino-2-sulfanyl-5-sulfo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfo-propanoic acid CAS Name: 2-[[2-[(3-amino-2-mercapto-1-oxo-5-sulfopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-[[2-[(3-amino-2-sulfanyl-5-sulfopentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfopropanoic acid Traditional Name: 2-[[2-[(3-amino-2-mercapto-5-sulfo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfo-propionic acid Formula: C17H25N3O11S3 MolecularWeight: 543.5889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CS(=O)(=O)O)C(=O)O)NC(=O)C(C(CCS(=O)(=O)O)N)S)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CS(=O)(=O)O)C(=O)O)NC(=O)C(C(CCS(=O)(=O)O)N)S)O

InChI

InChI=1S/C17H25N3O11S3/c18-11(5-6-33(26,27)28)14(32)16(23)19-12(7-9-1-3-10(21)4-2-9)15(22)20-13(17(24)25)8-34(29,30)31/h1-4,11-14,21,32H,5-8,18H2,(H,19,23)(H,20,22)(H,24,25)(H,26,27,28)(H,29,30,31)