2-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(3-amino-4-sulfanyl-butoxy)-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(3-amino-4-mercaptobutoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(3-amino-4-sulfanylbutoxy)-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-(3-amino-4-mercapto-butoxy)-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C19H30N2O4S2 MolecularWeight: 414.5825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S2/c1-12(2)15-5-4-14(25-8-6-13(20)11-26)10-16(15)18(22)21-17(19(23)24)7-9-27-3/h4-5,10,12-13,17,26H,6-9,11,20H2,1-3H3,(H,21,22)(H,23,24)