ethyl 2-[(2-azanyl-3-naphthalen-1-yl-butanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[(2-azanyl-3-naphthalen-1-yl-butanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-amino-3-(1-naphthyl)butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-(1-naphthalenyl)-1-oxobutyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-3-naphthalen-1-ylbutanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-amino-3-(1-naphthyl)butanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(C(C)C1=CC=CC2=CC=CC=C21)N

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(C(C)C1=CC=CC2=CC=CC=C21)N

InChI

InChI=1S/C21H28N2O3S/c1-4-26-21(25)18(12-13-27-3)23-20(24)19(22)14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,14,18-19H,4,12-13,22H2,1-3H3,(H,23,24)