1-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-methylsulfanyl-2-ureido-butanoyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[4-(methylthio)-2-ureido-butanoyl]amino]cyclohexanecarboxylic acid Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1(CCCCC1)C(=O)O)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NC1(CCCCC1)C(=O)O)NC(=O)N

InChI

InChI=1S/C13H23N3O4S/c1-21-8-5-9(15-12(14)20)10(17)16-13(11(18)19)6-3-2-4-7-13/h9H,2-8H2,1H3,(H,16,17)(H,18,19)(H3,14,15,20)