2-[(2-butan-2-yl-5-phenyl-4-sulfanyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(2-butan-2-yl-5-phenyl-4-sulfanyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[(5-phenyl-2-sec-butyl-4-sulfanyl-pentanoyl)amino]propanoic acid CAS Name: 2-[(2-butan-2-yl-4-mercapto-1-oxo-5-phenylpentyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-butan-2-yl-5-phenyl-4-sulfanylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[(4-mercapto-5-phenyl-2-sec-butyl-pentanoyl)amino]propionic acid Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CC1=CC=CC=C1)S)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CCC(C)C(CC(CC1=CC=CC=C1)S)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C24H31NO4S/c1-3-16(2)21(15-20(30)13-17-7-5-4-6-8-17)23(27)25-22(24(28)29)14-18-9-11-19(26)12-10-18/h4-12,16,20-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)