methyl (2R,3S)-3-methyl-2-[2-(2-naphthalen-2-ylsulfanylethanoyloxy)ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(2-naphthalen-2-ylsulfanylethanoyloxy)ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-[2-(2-naphthylsulfanyl)acetyl]oxyacetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[2-[2-(2-naphthalenylthio)-1-oxoethoxy]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-[2-(2-naphthylthio)acetyl]oxyacetyl]amino]valeric acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H25NO5S/c1-4-14(2)20(21(25)26-3)22-18(23)12-27-19(24)13-28-17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14,20H,4,12-13H2,1-3H3,(H,22,23)/t14-,20+/m0/s1