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

Systemtic Name: 2-[[3-[(E)-5-azanyl-2-propan-2-yl-6-sulfanyl-hex-3-enoxy]naphthalen-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-[(E)-5-amino-2-isopropyl-6-sulfanyl-hex-3-enoxy]naphthalene-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-[(E)-5-amino-6-mercapto-2-propan-2-ylhex-3-enoxy]-2-naphthalenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-[(E)-5-amino-2-propan-2-yl-6-sulfanylhex-3-enoxy]naphthalene-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-[(E)-5-amino-2-isopropyl-6-mercapto-hex-3-enoxy]-2-naphthoyl]amino]-4-(methylthio)butyric acid Formula: C25H34N2O4S2 MolecularWeight: 490.67846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC1=CC2=CC=CC=C2C=C1C(=O)NC(CCSC)C(=O)O)C=CC(CS)N

Isomeric SMILES

CC(C)C(COC1=CC2=CC=CC=C2C=C1C(=O)NC(CCSC)C(=O)O)/C=C/C(CS)N

InChI

InChI=1S/C25H34N2O4S2/c1-16(2)19(8-9-20(26)15-32)14-31-23-13-18-7-5-4-6-17(18)12-21(23)24(28)27-22(25(29)30)10-11-33-3/h4-9,12-13,16,19-20,22,32H,10-11,14-15,26H2,1-3H3,(H,27,28)(H,29,30)/b9-8+