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

Systemtic Name: 2-[[3-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-[(E)-5-amino-2-isopropyl-6-mercapto-hex-3-enoxy]benzoyl]amino]-4-(methylthio)butyric acid Formula: C21H32N2O4S2 MolecularWeight: 440.61978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S2/c1-14(2)16(7-8-17(22)13-28)12-27-18-6-4-5-15(11-18)20(24)23-19(21(25)26)9-10-29-3/h4-8,11,14,16-17,19,28H,9-10,12-13,22H2,1-3H3,(H,23,24)(H,25,26)/b8-7+