2-[[2-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CNC(CS)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CNC(CS)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H28N2O7S/c1-3-4-14-16(6-5-13(11(2)22)18(14)26)28-9-12(23)7-20-15(10-29)19(27)21-8-17(24)25/h5-6,12,15,20,23,26,29H,3-4,7-10H2,1-2H3,(H,21,27)(H,24,25)