2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide

Systemtic Name: 2-[[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]amino]-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide Openeye Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide CAS Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]amino]-4-(ethylthio)-N-(3-phenylpropyl)butanamide IUPAC Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide Traditional Name: 2-[[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]-4-(ethylthio)-N-(3-phenylpropyl)butyramide Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)NCCCC1=CC=CC=C1)NC(=O)C(CC2=C(C=C(C=C2C)O)C)N

Isomeric SMILES

CCSCCC(C(=O)NCCCC1=CC=CC=C1)NC(=O)C(CC2=C(C=C(C=C2C)O)C)N

InChI

InChI=1S/C26H37N3O3S/c1-4-33-14-12-24(26(32)28-13-8-11-20-9-6-5-7-10-20)29-25(31)23(27)17-22-18(2)15-21(30)16-19(22)3/h5-7,9-10,15-16,23-24,30H,4,8,11-14,17,27H2,1-3H3,(H,28,32)(H,29,31)