tert-butyl 2-[[5-ethylsulfanyl-2-(naphthalen-1-ylmethyl)pentanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[5-ethylsulfanyl-2-(naphthalen-1-ylmethyl)pentanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[5-ethylsulfanyl-2-(1-naphthylmethyl)pentanoyl]amino]hexanoate CAS Name: 2-[[5-(ethylthio)-2-(1-naphthalenylmethyl)-1-oxopentyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-ethylsulfanyl-2-(naphthalen-1-ylmethyl)pentanoyl]amino]hexanoate Traditional Name: 2-[[5-(ethylthio)-2-(1-naphthylmethyl)pentanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H41NO3S MolecularWeight: 471.69504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3S/c1-6-8-18-25(27(31)32-28(3,4)5)29-26(30)23(16-12-19-33-7-2)20-22-15-11-14-21-13-9-10-17-24(21)22/h9-11,13-15,17,23,25H,6-8,12,16,18-20H2,1-5H3,(H,29,30)