methyl 2-[[5-(3-azanyl-4-sulfanyl-pentoxy)-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-(3-azanyl-4-sulfanyl-pentoxy)-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-(3-amino-4-sulfanyl-pentoxy)-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-(3-amino-4-mercaptopentoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-amino-4-sulfanylpentoxy)-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-(3-amino-4-mercapto-pentoxy)-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H34N2O4S2 MolecularWeight: 442.63566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S2/c1-13(2)16-7-6-15(27-10-8-18(22)14(3)28)12-17(16)20(24)23-19(9-11-29-5)21(25)26-4/h6-7,12-14,18-19,28H,8-11,22H2,1-5H3,(H,23,24)