methyl (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenyl-butanoate Openeye Name: methyl (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenyl-butanoate CAS Name: (2S)-2-[[2-[(4-methoxyphenyl)methylthio]-1-oxopentyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenylbutanoate Traditional Name: (2S)-2-[2-(p-anisylthio)pentanoylamino]-4-phenyl-butyric acid methyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)OC)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCC(C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OC)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C24H31NO4S/c1-4-8-22(30-17-19-11-14-20(28-2)15-12-19)23(26)25-21(24(27)29-3)16-13-18-9-6-5-7-10-18/h5-7,9-12,14-15,21-22H,4,8,13,16-17H2,1-3H3,(H,25,26)/t21-,22?/m0/s1