methyl (2S)-2-[[(2S,3R)-3-ethanoylsulfanyl-5-methyl-2-(phenylmethyl)hexanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-3-ethanoylsulfanyl-5-methyl-2-(phenylmethyl)hexanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-3-acetylsulfanyl-2-benzyl-5-methyl-hexanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S,3R)-3-(acetylthio)-5-methyl-1-oxo-2-(phenylmethyl)hexyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-3-acetylsulfanyl-2-benzyl-5-methylhexanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S,3R)-3-(acetylthio)-2-benzyl-5-methyl-hexanoyl]amino]propionic acid methyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1=CC=CC=C1)C(=O)NC(C)C(=O)OC)SC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)[C@@H](CC(C)C)SC(=O)C

InChI

InChI=1S/C20H29NO4S/c1-13(2)11-18(26-15(4)22)17(12-16-9-7-6-8-10-16)19(23)21-14(3)20(24)25-5/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,21,23)/t14-,17+,18+/m0/s1