3-(4-hydroxyphenyl)-2-[[2-[(3-methoxy-2-sulfanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methoxy-2-sulfanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methoxy-2-sulfanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methoxy-1-oxobutyl)amino]-3-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-[(3-methoxy-2-sulfanylbutanoyl)amino]-3-methylpentanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-[(2-mercapto-3-methoxy-butanoyl)amino]-3-methyl-pentanoyl]amino]propionic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C(C)OC)S

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C(C)OC)S

InChI

InChI=1S/C20H30N2O6S/c1-5-11(2)16(22-19(25)17(29)12(3)28-4)18(24)21-15(20(26)27)10-13-6-8-14(23)9-7-13/h6-9,11-12,15-17,23,29H,5,10H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)