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

Systemtic Name: methyl (2S)-2-[[3-ethanoylsulfanyl-5-phenyl-2-(phenylmethyl)pentanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[(3-acetylsulfanyl-2-benzyl-5-phenyl-pentanoyl)amino]propanoate CAS Name: (2S)-2-[[3-(acetylthio)-1-oxo-5-phenyl-2-(phenylmethyl)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetylsulfanyl-2-benzyl-5-phenylpentanoyl)amino]propanoate Traditional Name: (2S)-2-[[3-(acetylthio)-2-benzyl-5-phenyl-pentanoyl]amino]propionic acid methyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)C(CCC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C(CC1=CC=CC=C1)C(CCC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C24H29NO4S/c1-17(24(28)29-3)25-23(27)21(16-20-12-8-5-9-13-20)22(30-18(2)26)15-14-19-10-6-4-7-11-19/h4-13,17,21-22H,14-16H2,1-3H3,(H,25,27)/t17-,21?,22?/m0/s1