methyl (2S)-2-[[3-ethanoylsulfanyl-5-phenyl-2-(phenylmethyl)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[3-ethanoylsulfanyl-5-phenyl-2-(phenylmethyl)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(3-acetylsulfanyl-2-benzyl-5-phenyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[3-(acetylthio)-1-oxo-5-phenyl-2-(phenylmethyl)pentyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetylsulfanyl-2-benzyl-5-phenylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[3-(acetylthio)-2-benzyl-5-phenyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C30H33NO5S MolecularWeight: 519.65172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC(=O)SC(CCC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C30H33NO5S/c1-21(32)37-28(18-15-22-9-5-3-6-10-22)26(19-23-11-7-4-8-12-23)29(34)31-27(30(35)36-2)20-24-13-16-25(33)17-14-24/h3-14,16-17,26-28,33H,15,18-20H2,1-2H3,(H,31,34)/t26?,27-,28?/m0/s1