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

Systemtic Name: 2-[[5-[(2-azanyl-3-sulfanyl-propoxy)methyl]-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-[(2-amino-3-sulfanyl-propoxy)methyl]-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-[(2-amino-3-mercaptopropoxy)methyl]-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-[(2-amino-3-sulfanylpropoxy)methyl]-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-[(2-amino-3-mercapto-propoxy)methyl]-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)COCC(CS)N)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

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

InChI

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