tert-butyl 2-[[3-(2,2-dimethylpropanoyloxy)-2-oxidanyl-propyl]-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate

Systemtic Name: tert-butyl 2-[[3-(2,2-dimethylpropanoyloxy)-2-oxidanyl-propyl]-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[[3-(2,2-dimethylpropanoyloxy)-2-hydroxy-propyl]-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[3-(2,2-dimethyl-1-oxopropoxy)-2-hydroxypropyl]-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(2,2-dimethylpropanoyloxy)-2-hydroxypropyl]-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[(2-hydroxy-3-pivaloyloxy-propyl)-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C32H45NO6S MolecularWeight: 571.7678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)N(CC(COC(=O)C(C)(C)C)O)C(=O)C(CC1=CC=CC2=CC=CC=C21)C=S

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)N(CC(COC(=O)C(C)(C)C)O)C(=O)C(CC1=CC=CC2=CC=CC=C21)C=S

InChI

InChI=1S/C32H45NO6S/c1-8-9-17-27(29(36)39-32(5,6)7)33(19-25(34)20-38-30(37)31(2,3)4)28(35)24(21-40)18-23-15-12-14-22-13-10-11-16-26(22)23/h10-16,21,24-25,27,34H,8-9,17-20H2,1-7H3