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

Systemtic Name: tert-butyl 2-[2,3-bis(oxidanyl)propyl-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[2,3-dihydroxypropyl-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[2,3-dihydroxypropyl-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,3-dihydroxypropyl-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[glyceryl-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5S/c1-5-6-14-24(26(32)33-27(2,3)4)28(16-22(30)17-29)25(31)21(18-34)15-20-12-9-11-19-10-7-8-13-23(19)20/h7-13,18,21-22,24,29-30H,5-6,14-17H2,1-4H3