(2S)-2-azanyl-4-methylsulfanyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]butanamide

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]butanamide Openeye Name: (2S)-2-amino-4-methylsulfanyl-N-[(1-tridecanoyl-2-piperidyl)methyl]butanamide CAS Name: (2S)-2-amino-4-(methylthio)-N-[[1-(1-oxotridecyl)-2-piperidinyl]methyl]butanamide IUPAC Name: (2S)-2-amino-4-methylsulfanyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]butanamide Traditional Name: (2S)-2-amino-4-(methylthio)-N-[(1-tridecanoyl-2-piperidyl)methyl]butyramide Formula: C24H47N3O2S MolecularWeight: 441.71388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CCSC)N

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](CCSC)N

InChI

InChI=1S/C24H47N3O2S/c1-3-4-5-6-7-8-9-10-11-12-16-23(28)27-18-14-13-15-21(27)20-26-24(29)22(25)17-19-30-2/h21-22H,3-20,25H2,1-2H3,(H,26,29)/t21?,22-/m0/s1