2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-4-methylsulfanyl-N-(3-thiophen-2-ylpropyl)butanamide

Systemtic Name: 2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-4-methylsulfanyl-N-(3-thiophen-2-ylpropyl)butanamide Openeye Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-4-methylsulfanyl-N-[3-(2-thienyl)propyl]butanamide CAS Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-4-(methylthio)-N-(3-thiophen-2-ylpropyl)butanamide IUPAC Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-4-methylsulfanyl-N-(3-thiophen-2-ylpropyl)butanamide Traditional Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-4-(methylthio)-N-[3-(2-thienyl)propyl]butyramide Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC(CCSC)C(=O)NCCCC2=CC=CS2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NC(CCSC)C(=O)NCCCC2=CC=CS2)N)C)O

InChI

InChI=1S/C23H33N3O3S2/c1-15-12-17(27)13-16(2)19(15)14-20(24)22(28)26-21(8-11-30-3)23(29)25-9-4-6-18-7-5-10-31-18/h5,7,10,12-13,20-21,27H,4,6,8-9,11,14,24H2,1-3H3,(H,25,29)(H,26,28)