N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylcarbonylphenyl)methylamino]ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylcarbonylphenyl)methylamino]ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methylamino]ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[[3-(pyrrolidine-1-carbonyl)benzyl]amino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H26N4O4S/c1-14-10-18(24-29-14)23-20(27)15(2)30-13-19(26)22-12-16-6-5-7-17(11-16)21(28)25-8-3-4-9-25/h5-7,10-11,15H,3-4,8-9,12-13H2,1-2H3,(H,22,26)(H,23,24,27)