2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-[(E)-4-azanyl-5-sulfanyl-pent-2-enoxy]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-[(E)-4-amino-5-sulfanyl-pent-2-enoxy]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-[(E)-4-amino-5-mercaptopent-2-enoxy]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-[(E)-4-amino-5-sulfanylpent-2-enoxy]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-[(E)-4-amino-5-mercapto-pent-2-enoxy]benzoyl]amino]-4-(methylthio)butyric acid Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)OCC=CC(CS)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)OC/C=C/C(CS)N

InChI

InChI=1S/C17H24N2O4S2/c1-25-9-7-15(17(21)22)19-16(20)12-4-2-6-14(10-12)23-8-3-5-13(18)11-24/h2-6,10,13,15,24H,7-9,11,18H2,1H3,(H,19,20)(H,21,22)/b5-3+