(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-butylphenyl)thio]-N-(2-hydroxyethyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-butylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(4-butylphenyl)thio]-N-(2-hydroxyethyl)propionamide Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N(CCO)CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C24H32N2O3S/c1-3-4-8-20-11-13-22(14-12-20)30-18-23(25-19(2)28)24(29)26(15-16-27)17-21-9-6-5-7-10-21/h5-7,9-14,23,27H,3-4,8,15-18H2,1-2H3,(H,25,28)/t23-/m1/s1