methyl 2-[[3-(2-azanyl-3-methyl-pentoxy)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-(2-azanyl-3-methyl-pentoxy)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-(2-amino-3-methyl-pentoxy)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-(2-amino-3-methylpentoxy)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(2-amino-3-methylpentoxy)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-(2-amino-3-methyl-pentoxy)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COC(CC(=O)NC(CCSC)C(=O)OC)C1=CC=CC=C1)N

Isomeric SMILES

CCC(C)C(COC(CC(=O)NC(CCSC)C(=O)OC)C1=CC=CC=C1)N

InChI

InChI=1S/C21H34N2O4S/c1-5-15(2)17(22)14-27-19(16-9-7-6-8-10-16)13-20(24)23-18(11-12-28-4)21(25)26-3/h6-10,15,17-19H,5,11-14,22H2,1-4H3,(H,23,24)