(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-phenylmethoxyphenyl)thio]-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-(2-pyrrolidinoethyl)propionamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCN3CCCC3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCN3CCCC3

InChI

InChI=1S/C24H31N3O3S/c1-19(28)26-23(24(29)25-13-16-27-14-5-6-15-27)18-31-22-11-9-21(10-12-22)30-17-20-7-3-2-4-8-20/h2-4,7-12,23H,5-6,13-18H2,1H3,(H,25,29)(H,26,28)/t23-/m1/s1