methyl (2S)-4-methylsulfanyl-2-[2-(2-naphthalen-1-ylethanoylamino)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(2-naphthalen-1-ylethanoylamino)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[[2-(1-naphthyl)acetyl]amino]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-[[2-(1-naphthyl)acetyl]amino]acetyl]amino]butyric acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C20H24N2O4S/c1-26-20(25)17(10-11-27-2)22-19(24)13-21-18(23)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,17H,10-13H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1