ethyl (2R)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-isobutylphenyl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(4-isobutylphenyl)propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C18H27NO3S/c1-5-22-18(21)16(11-23)19-17(20)13(4)15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13,16,23H,5,10-11H2,1-4H3,(H,19,20)/t13?,16-/m0/s1