methyl 3-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]-5-methylsulfanyl-2-oxidanylidene-pentanoate

Systemtic Name: methyl 3-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]-5-methylsulfanyl-2-oxidanylidene-pentanoate Openeye Name: methyl 3-[[5-(3-amino-4-sulfanyl-butoxy)-2-isopropyl-benzoyl]amino]-5-methylsulfanyl-2-oxo-pentanoate CAS Name: 3-[[[5-(3-amino-4-mercaptobutoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-5-(methylthio)-2-oxopentanoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-amino-4-sulfanylbutoxy)-2-propan-2-ylbenzoyl]amino]-5-methylsulfanyl-2-oxopentanoate Traditional Name: 3-[[5-(3-amino-4-mercapto-butoxy)-2-isopropyl-benzoyl]amino]-2-keto-5-(methylthio)valeric acid methyl ester Formula: C21H32N2O5S2 MolecularWeight: 456.61918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)OCCC(CS)N)C(=O)NC(CCSC)C(=O)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)OCCC(CS)N)C(=O)NC(CCSC)C(=O)C(=O)OC

InChI

InChI=1S/C21H32N2O5S2/c1-13(2)16-6-5-15(28-9-7-14(22)12-29)11-17(16)20(25)23-18(8-10-30-4)19(24)21(26)27-3/h5-6,11,13-14,18,29H,7-10,12,22H2,1-4H3,(H,23,25)