methyl 2-[[5-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[5-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[5-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[5-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[5-[(E)-5-amino-2-isopropyl-6-mercapto-hex-3-enoxy]-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H40N2O4S2 MolecularWeight: 496.7261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O4S2/c1-16(2)18(7-8-19(26)15-32)14-31-20-9-10-21(17(3)4)22(13-20)24(28)27-23(11-12-33-6)25(29)30-5/h7-10,13,16-19,23,32H,11-12,14-15,26H2,1-6H3,(H,27,28)/b8-7+