(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-benzyloxyphenyl)sulfanyl-N-(2-dimethylaminoethyl)propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-phenylmethoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-benzyl-N-(2-dimethylaminoethyl)propionamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O3S/c1-23(33)30-28(29(34)32(19-18-31(2)3)20-24-10-6-4-7-11-24)22-36-27-16-14-26(15-17-27)35-21-25-12-8-5-9-13-25/h4-17,28H,18-22H2,1-3H3,(H,30,33)/t28-/m1/s1