2-[4-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-methylsulfanyl-2-ureido-butanoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-(methylthio)-2-ureido-butanoyl]piperazino]acetic acid Formula: C12H22N4O4S MolecularWeight: 318.39248

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC(=O)O)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)CC(=O)O)NC(=O)N

InChI

InChI=1S/C12H22N4O4S/c1-21-7-2-9(14-12(13)20)11(19)16-5-3-15(4-6-16)8-10(17)18/h9H,2-8H2,1H3,(H,17,18)(H3,13,14,20)