tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-(2-oxidanyl-3-propanoyloxy-propyl)sulfanyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-(2-oxidanyl-3-propanoyloxy-propyl)sulfanyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(2-hydroxy-3-propanoyloxy-propyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[[2-hydroxy-3-(1-oxopropoxy)propyl]thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-hydroxy-3-propanoyloxypropyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(2-hydroxy-3-propionyloxy-propyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C30H43NO6S MolecularWeight: 545.73052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC(COC(=O)CC)O

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC(COC(=O)CC)O

InChI

InChI=1S/C30H43NO6S/c1-6-8-16-26(29(35)37-30(3,4)5)31-28(34)23(19-38-20-24(32)18-36-27(33)7-2)17-22-14-11-13-21-12-9-10-15-25(21)22/h9-15,23-24,26,32H,6-8,16-20H2,1-5H3,(H,31,34)