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

Systemtic Name: methyl 2-[[4-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(E)-5-amino-2-isopropyl-6-mercapto-hex-3-enoxy]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H34N2O4S2 MolecularWeight: 454.64636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC)C=CC(CS)N

Isomeric SMILES

CC(C)C(COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC)/C=C/C(CS)N

InChI

InChI=1S/C22H34N2O4S2/c1-15(2)17(5-8-18(23)14-29)13-28-19-9-6-16(7-10-19)21(25)24-20(11-12-30-4)22(26)27-3/h5-10,15,17-18,20,29H,11-14,23H2,1-4H3,(H,24,25)/b8-5+