tert-butyl 2-[[2-[(2-methoxy-3-propanoyloxy-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-[(2-methoxy-3-propanoyloxy-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(2-methoxy-3-propanoyloxy-propyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[[2-methoxy-3-(1-oxopropoxy)propyl]thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-methoxy-3-propanoyloxypropyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(2-methoxy-3-propionyloxy-propyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C31H45NO6S MolecularWeight: 559.7571

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO6S/c1-7-9-17-27(30(35)38-31(3,4)5)32-29(34)24(20-39-21-25(36-6)19-37-28(33)8-2)18-23-15-12-14-22-13-10-11-16-26(22)23/h10-16,24-25,27H,7-9,17-21H2,1-6H3,(H,32,34)