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

Systemtic Name: 2-[[2-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(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=C1C(=O)NC(CCSC)C(=O)O)C=CC(CS)N

Isomeric SMILES

CC(C)C(COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)O)/C=C/C(CS)N

InChI

InChI=1S/C21H32N2O4S2/c1-14(2)15(8-9-16(22)13-28)12-27-19-7-5-4-6-17(19)20(24)23-18(21(25)26)10-11-29-3/h4-9,14-16,18,28H,10-13,22H2,1-3H3,(H,23,24)(H,25,26)/b9-8+