methyl 1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-butanoyl]amino]-3-methyl-butanoyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-butanoyl]amino]-3-methyl-butanoyl]piperidine-2-carboxylate Openeye Name: methyl 1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-butanoyl]amino]-3-methyl-butanoyl]piperidine-2-carboxylate CAS Name: 1-[(2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylbutyl]amino]-3-methyl-1-oxobutyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylbutanoyl]amino]-3-methylbutanoyl]piperidine-2-carboxylate Traditional Name: 1-[(2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-butanoyl]amino]-3-methyl-butanoyl]pipecolinic acid methyl ester Formula: C24H34N2O5S MolecularWeight: 462.60216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCC1C(=O)OC)NC(=O)C(C(C)C2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCCC1C(=O)OC)NC(=O)[C@H](C(C)C2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C24H34N2O5S/c1-15(2)20(23(29)26-14-10-9-13-19(26)24(30)31-5)25-22(28)21(32-17(4)27)16(3)18-11-7-6-8-12-18/h6-8,11-12,15-16,19-21H,9-10,13-14H2,1-5H3,(H,25,28)/t16?,19?,20-,21-/m0/s1