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

Systemtic Name: tert-butyl 2-[(3-acetyloxy-2-oxidanyl-propyl)-(2-methanethioyl-3-naphthalen-1-yl-propanoyl)amino]hexanoate Openeye Name: tert-butyl 2-[(3-acetoxy-2-hydroxy-propyl)-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[(3-acetyloxy-2-hydroxypropyl)-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-acetyloxy-2-hydroxypropyl)-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[(3-acetoxy-2-hydroxy-propyl)-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H39NO6S MolecularWeight: 529.68806

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H39NO6S/c1-6-7-15-26(28(34)36-29(3,4)5)30(17-24(32)18-35-20(2)31)27(33)23(19-37)16-22-13-10-12-21-11-8-9-14-25(21)22/h8-14,19,23-24,26,32H,6-7,15-18H2,1-5H3