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

Systemtic Name: 2-[[5-(3-azanyl-4-sulfanyl-pentoxy)-2-propan-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(3-amino-4-sulfanyl-pentoxy)-2-isopropyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(3-amino-4-mercaptopentoxy)-2-propan-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(3-amino-4-sulfanylpentoxy)-2-propan-2-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-(3-amino-4-mercapto-pentoxy)-2-isopropyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C20H32N2O4S2 MolecularWeight: 428.60908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S2/c1-12(2)15-6-5-14(26-9-7-17(21)13(3)27)11-16(15)19(23)22-18(20(24)25)8-10-28-4/h5-6,11-13,17-18,27H,7-10,21H2,1-4H3,(H,22,23)(H,24,25)