ethyl (2R)-2-azanyl-3-sulfanyl-propanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: ethyl (2R)-2-azanyl-3-sulfanyl-propanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: ethyl (2R)-2-amino-3-sulfanyl-propanoate; 2-(4-isobutylphenyl)propanoic acid CAS Name: (2R)-2-amino-3-mercaptopropanoic acid ethyl ester; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: ethyl (2R)-2-amino-3-sulfanylpropanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: (2R)-2-amino-3-mercapto-propionic acid ethyl ester; 2-(4-isobutylphenyl)propionic acid Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)N.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CS)N.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

InChI

InChI=1S/C13H18O2.C5H11NO2S/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-2-8-5(7)4(6)3-9/h4-7,9-10H,8H2,1-3H3,(H,14,15);4,9H,2-3,6H2,1H3/t;4-/m.0/s1