(2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[2-[(4-methoxyphenyl)methylthio]-1-oxopentyl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[2-(p-anisylthio)pentanoylamino]-4-phenyl-butyric acid Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-3-7-21(29-16-18-10-13-19(28-2)14-11-18)22(25)24-20(23(26)27)15-12-17-8-5-4-6-9-17/h4-6,8-11,13-14,20-21H,3,7,12,15-16H2,1-2H3,(H,24,25)(H,26,27)/t20-,21?/m0/s1